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/5m8i_rna-bad76d29/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5m8i_rna-bad76d29/inputs/seq.fa: 1 curr_seq: _UUUAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUUAA 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 5 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: 30 n_atoms_counter: 30 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 chain: 1: _xxxxx_ 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 RNAStructure::tertiaryStrcWeight = 1.000000 RNAStructure::secondStrcWeight = 1.000000 detecting repulsive nucl: 0, chain 0 detecting repulsive nucl: 1, chain 0 detecting repulsive nucl: 2, chain 0 detecting repulsive nucl: 3, chain 0 detecting repulsive nucl: 4, chain 0 chain: 1: _xxxxx_ 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 RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 5.000000 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/5m8i_rna-bad76d29/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5m8i_rna-bad76d29/inputs/seq.fa: 1 curr_seq: _UUUAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUUAA 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 5 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: 30 n_atoms_counter: 30 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 chain: 1: _xxxxx_ 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 RNAStructure::tertiaryStrcWeight = 1.000000 RNAStructure::secondStrcWeight = 1.000000 detecting repulsive nucl: 0, chain 0 detecting repulsive nucl: 1, chain 0 detecting repulsive nucl: 2, chain 0 detecting repulsive nucl: 3, chain 0 detecting repulsive nucl: 4, chain 0 chain: 1: _xxxxx_ 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 RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 5.000000 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/5m8i_rna-bad76d29/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5m8i_rna-bad76d29/inputs/seq.fa: 1 curr_seq: _UUUAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUUAA 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 5 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: 30 n_atoms_counter: 30 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 chain: 1: _xxxxx_ 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 RNAStructure::tertiaryStrcWeight = 1.000000 RNAStructure::secondStrcWeight = 1.000000 detecting repulsive nucl: 0, chain 0 detecting repulsive nucl: 1, chain 0 detecting repulsive nucl: 2, chain 0 detecting repulsive nucl: 3, chain 0 detecting repulsive nucl: 4, chain 0 chain: 1: _xxxxx_ 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 RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 5.000000 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/5m8i_rna-bad76d29/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5m8i_rna-bad76d29/inputs/seq.fa: 1 curr_seq: _UUUAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUUAA 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 5 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: 30 n_atoms_counter: 30 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 chain: 1: _xxxxx_ 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 RNAStructure::tertiaryStrcWeight = 1.000000 RNAStructure::secondStrcWeight = 1.000000 detecting repulsive nucl: 0, chain 0 detecting repulsive nucl: 1, chain 0 detecting repulsive nucl: 2, chain 0 detecting repulsive nucl: 3, chain 0 detecting repulsive nucl: 4, chain 0 chain: 1: _xxxxx_ 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 RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 5.000000 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/5m8i_rna-bad76d29/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5m8i_rna-bad76d29/inputs/seq.fa: 1 curr_seq: _UUUAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUUAA 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 5 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: 30 n_atoms_counter: 30 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 chain: 1: _xxxxx_ 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 RNAStructure::tertiaryStrcWeight = 1.000000 RNAStructure::secondStrcWeight = 1.000000 detecting repulsive nucl: 0, chain 0 detecting repulsive nucl: 1, chain 0 detecting repulsive nucl: 2, chain 0 detecting repulsive nucl: 3, chain 0 detecting repulsive nucl: 4, chain 0 chain: 1: _xxxxx_ 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 RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 5.000000 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/5m8i_rna-bad76d29/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5m8i_rna-bad76d29/inputs/seq.fa: 1 curr_seq: _UUUAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUUAA 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 5 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: 30 n_atoms_counter: 30 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 chain: 1: _xxxxx_ 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 RNAStructure::tertiaryStrcWeight = 1.000000 RNAStructure::secondStrcWeight = 1.000000 detecting repulsive nucl: 0, chain 0 detecting repulsive nucl: 1, chain 0 detecting repulsive nucl: 2, chain 0 detecting repulsive nucl: 3, chain 0 detecting repulsive nucl: 4, chain 0 chain: 1: _xxxxx_ 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 RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 5.000000 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/5m8i_rna-bad76d29/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5m8i_rna-bad76d29/inputs/seq.fa: 1 curr_seq: _UUUAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUUAA 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 5 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: 30 n_atoms_counter: 30 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 chain: 1: _xxxxx_ 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 RNAStructure::tertiaryStrcWeight = 1.000000 RNAStructure::secondStrcWeight = 1.000000 detecting repulsive nucl: 0, chain 0 detecting repulsive nucl: 1, chain 0 detecting repulsive nucl: 2, chain 0 detecting repulsive nucl: 3, chain 0 detecting repulsive nucl: 4, chain 0 chain: 1: _xxxxx_ 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 RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 5.000000 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/5m8i_rna-bad76d29/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5m8i_rna-bad76d29/inputs/seq.fa: 1 curr_seq: _UUUAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUUAA 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 5 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: 30 n_atoms_counter: 30 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 chain: 1: _xxxxx_ 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 RNAStructure::tertiaryStrcWeight = 1.000000 RNAStructure::secondStrcWeight = 1.000000 detecting repulsive nucl: 0, chain 0 detecting repulsive nucl: 1, chain 0 detecting repulsive nucl: 2, chain 0 detecting repulsive nucl: 3, chain 0 detecting repulsive nucl: 4, chain 0 chain: 1: _xxxxx_ 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 RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 5.000000 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/5m8i_rna-bad76d29/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5m8i_rna-bad76d29/inputs/seq.fa: 1 curr_seq: _UUUAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUUAA 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 5 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: 30 n_atoms_counter: 30 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 chain: 1: _xxxxx_ 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 RNAStructure::tertiaryStrcWeight = 1.000000 RNAStructure::secondStrcWeight = 1.000000 detecting repulsive nucl: 0, chain 0 detecting repulsive nucl: 1, chain 0 detecting repulsive nucl: 2, chain 0 detecting repulsive nucl: 3, chain 0 detecting repulsive nucl: 4, chain 0 chain: 1: _xxxxx_ 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 RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 5.000000 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/5m8i_rna-bad76d29/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5m8i_rna-bad76d29/inputs/seq.fa: 1 curr_seq: _UUUAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UUUAA 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 5 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: 30 n_atoms_counter: 30 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 chain: 1: _xxxxx_ 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 RNAStructure::tertiaryStrcWeight = 1.000000 RNAStructure::secondStrcWeight = 1.000000 detecting repulsive nucl: 0, chain 0 detecting repulsive nucl: 1, chain 0 detecting repulsive nucl: 2, chain 0 detecting repulsive nucl: 3, chain 0 detecting repulsive nucl: 4, chain 0 chain: 1: _xxxxx_ 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 RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 5.000000 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: -3.913471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3.913471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3.913471 (E_RNA) where: Base-Base interactions energy: 11.400 where: short stacking energy: 11.400 Base-Backbone interact. energy: -0.003 local terms energy: -15.310917 where: bonds (distance) C4'-P energy: -4.858 bonds (distance) P-C4' energy: -5.368 flat angles C4'-P-C4' energy: -2.696 flat angles P-C4'-P energy: -4.013 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: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -3.913471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3.913471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3.913471 (E_RNA) where: Base-Base interactions energy: 11.400 where: short stacking energy: 11.400 Base-Backbone interact. energy: -0.003 local terms energy: -15.310917 where: bonds (distance) C4'-P energy: -4.858 bonds (distance) P-C4' energy: -5.368 flat angles C4'-P-C4' energy: -2.696 flat angles P-C4'-P energy: -4.013 tors. eta vs tors. theta energy: 1.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -3.913471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3.913471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3.913471 (E_RNA) where: Base-Base interactions energy: 11.400 where: short stacking energy: 11.400 Base-Backbone interact. energy: -0.003 local terms energy: -15.310917 where: bonds (distance) C4'-P energy: -4.858 bonds (distance) P-C4' energy: -5.368 flat angles C4'-P-C4' energy: -2.696 flat angles P-C4'-P energy: -4.013 tors. eta vs tors. theta energy: 1.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -3.913471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3.913471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3.913471 (E_RNA) where: Base-Base interactions energy: 11.400 where: short stacking energy: 11.400 Base-Backbone interact. energy: -0.003 local terms energy: -15.310917 where: bonds (distance) C4'-P energy: -4.858 bonds (distance) P-C4' energy: -5.368 flat angles C4'-P-C4' energy: -2.696 flat angles P-C4'-P energy: -4.013 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: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -3.913471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3.913471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3.913471 (E_RNA) where: Base-Base interactions energy: 11.400 where: short stacking energy: 11.400 Base-Backbone interact. energy: -0.003 local terms energy: -15.310917 where: bonds (distance) C4'-P energy: -4.858 bonds (distance) P-C4' energy: -5.368 flat angles C4'-P-C4' energy: -2.696 flat angles P-C4'-P energy: -4.013 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: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -3.913471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3.913471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3.913471 (E_RNA) where: Base-Base interactions energy: 11.400 where: short stacking energy: 11.400 Base-Backbone interact. energy: -0.003 local terms energy: -15.310917 where: bonds (distance) C4'-P energy: -4.858 bonds (distance) P-C4' energy: -5.368 flat angles C4'-P-C4' energy: -2.696 flat angles P-C4'-P energy: -4.013 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: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -3.913471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3.913471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3.913471 (E_RNA) where: Base-Base interactions energy: 11.400 where: short stacking energy: 11.400 Base-Backbone interact. energy: -0.003 local terms energy: -15.310917 where: bonds (distance) C4'-P energy: -4.858 bonds (distance) P-C4' energy: -5.368 flat angles C4'-P-C4' energy: -2.696 flat angles P-C4'-P energy: -4.013 tors. eta vs tors. theta energy: 1.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -3.913471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3.913471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3.913471 (E_RNA) where: Base-Base interactions energy: 11.400 where: short stacking energy: 11.400 Base-Backbone interact. energy: -0.003 local terms energy: -15.310917 where: bonds (distance) C4'-P energy: -4.858 bonds (distance) P-C4' energy: -5.368 flat angles C4'-P-C4' energy: -2.696 flat angles P-C4'-P energy: -4.013 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: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -3.913471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3.913471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3.913471 (E_RNA) where: Base-Base interactions energy: 11.400 where: short stacking energy: 11.400 Base-Backbone interact. energy: -0.003 local terms energy: -15.310917 where: bonds (distance) C4'-P energy: -4.858 bonds (distance) P-C4' energy: -5.368 flat angles C4'-P-C4' energy: -2.696 flat angles P-C4'-P energy: -4.013 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: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -3.913471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3.913471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3.913471 (E_RNA) where: Base-Base interactions energy: 11.400 where: short stacking energy: 11.400 Base-Backbone interact. energy: -0.003 local terms energy: -15.310917 where: bonds (distance) C4'-P energy: -4.858 bonds (distance) P-C4' energy: -5.368 flat angles C4'-P-C4' energy: -2.696 flat angles P-C4'-P energy: -4.013 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: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -29.256002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.256002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.256002 (E_RNA) where: Base-Base interactions energy: -11.248 where: short stacking energy: -11.248 Base-Backbone interact. energy: -0.000 local terms energy: -18.007788 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.485 flat angles P-C4'-P energy: -1.348 tors. eta vs tors. theta energy: -4.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -25.756723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.756723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.756723 (E_RNA) where: Base-Base interactions energy: -8.299 where: short stacking energy: -8.299 Base-Backbone interact. energy: -0.000 local terms energy: -17.457408 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -3.740 flat angles P-C4'-P energy: -2.620 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: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -27.978251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.978251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.978251 (E_RNA) where: Base-Base interactions energy: -11.474 where: short stacking energy: -11.474 Base-Backbone interact. energy: -0.000 local terms energy: -16.504114 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.441 flat angles C4'-P-C4' energy: -3.992 flat angles P-C4'-P energy: -2.054 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: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -24.653260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.653260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.653260 (E_RNA) where: Base-Base interactions energy: -7.229 where: short stacking energy: -7.229 Base-Backbone interact. energy: -0.000 local terms energy: -17.423789 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.299 flat angles P-C4'-P energy: -3.185 tors. eta vs tors. theta energy: -1.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -24.349701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.349701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.349701 (E_RNA) where: Base-Base interactions energy: -7.149 where: short stacking energy: -7.149 Base-Backbone interact. energy: -0.000 local terms energy: -17.200110 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -2.880 flat angles P-C4'-P energy: -3.056 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: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -21.572577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.572577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.572577 (E_RNA) where: Base-Base interactions energy: -6.746 where: short stacking energy: -6.746 Base-Backbone interact. energy: -0.002 local terms energy: -14.824756 where: bonds (distance) C4'-P energy: -3.161 bonds (distance) P-C4' energy: -3.818 flat angles C4'-P-C4' energy: -3.836 flat angles P-C4'-P energy: -2.269 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: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -20.453585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.453585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.453585 (E_RNA) where: Base-Base interactions energy: -4.174 where: short stacking energy: -4.174 Base-Backbone interact. energy: -0.001 local terms energy: -16.278952 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.536 flat angles P-C4'-P energy: -2.867 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: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -23.578830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.578830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.578830 (E_RNA) where: Base-Base interactions energy: -6.113 where: short stacking energy: -6.113 Base-Backbone interact. energy: -0.052 local terms energy: -17.414584 where: bonds (distance) C4'-P energy: -4.005 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -3.063 flat angles P-C4'-P energy: -3.226 tors. eta vs tors. theta energy: -2.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -18.688736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.688736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.688736 (E_RNA) where: Base-Base interactions energy: -3.791 where: short stacking energy: -3.791 Base-Backbone interact. energy: 0.005 local terms energy: -14.902642 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.364 flat angles P-C4'-P energy: -2.581 tors. eta vs tors. theta energy: 1.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -20.060491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.060491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.060491 (E_RNA) where: Base-Base interactions energy: -3.386 where: short stacking energy: -3.386 Base-Backbone interact. energy: -0.000 local terms energy: -16.674627 where: bonds (distance) C4'-P energy: -3.566 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.041 flat angles P-C4'-P energy: -2.784 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: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -32.753682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.753682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.753682 (E_RNA) where: Base-Base interactions energy: -12.285 where: short stacking energy: -12.285 Base-Backbone interact. energy: -0.000 local terms energy: -20.468337 where: bonds (distance) C4'-P energy: -3.861 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -3.773 flat angles P-C4'-P energy: -3.059 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: 3 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -24.623488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.623488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.623488 (E_RNA) where: Base-Base interactions energy: -7.934 where: short stacking energy: -7.934 Base-Backbone interact. energy: -0.015 local terms energy: -16.674353 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.455 flat angles P-C4'-P energy: -3.325 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: 3, replica: 2 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -25.365740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.365740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.365740 (E_RNA) where: Base-Base interactions energy: -10.053 where: short stacking energy: -10.053 Base-Backbone interact. energy: -0.000 local terms energy: -15.312490 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -2.841 flat angles P-C4'-P energy: -3.404 tors. eta vs tors. theta energy: -0.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -22.668611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.668611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.668611 (E_RNA) where: Base-Base interactions energy: -9.319 where: short stacking energy: -9.319 Base-Backbone interact. energy: -0.009 local terms energy: -13.340858 where: bonds (distance) C4'-P energy: -2.209 bonds (distance) P-C4' energy: -3.128 flat angles C4'-P-C4' energy: -4.065 flat angles P-C4'-P energy: -2.828 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: 4 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -26.314509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.314509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.314509 (E_RNA) where: Base-Base interactions energy: -10.809 where: short stacking energy: -10.809 Base-Backbone interact. energy: -0.039 local terms energy: -15.466798 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -2.906 flat angles P-C4'-P energy: -1.199 tors. eta vs tors. theta energy: -2.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -24.549455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.549455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.549455 (E_RNA) where: Base-Base interactions energy: -6.744 where: short stacking energy: -6.744 Base-Backbone interact. energy: -0.000 local terms energy: -17.804902 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -4.447 flat angles P-C4'-P energy: -3.729 tors. eta vs tors. theta energy: -0.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -25.424660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.424660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.424660 (E_RNA) where: Base-Base interactions energy: -8.098 where: short stacking energy: -8.098 Base-Backbone interact. energy: -0.000 local terms energy: -17.326933 where: bonds (distance) C4'-P energy: -2.768 bonds (distance) P-C4' energy: -4.314 flat angles C4'-P-C4' energy: -3.996 flat angles P-C4'-P energy: -4.061 tors. eta vs tors. theta energy: -2.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -24.698597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.698597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.698597 (E_RNA) where: Base-Base interactions energy: -9.345 where: short stacking energy: -9.345 Base-Backbone interact. energy: -0.000 local terms energy: -15.353800 where: bonds (distance) C4'-P energy: -2.689 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -4.008 flat angles P-C4'-P energy: -2.307 tors. eta vs tors. theta energy: -1.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -23.979993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.979993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.979993 (E_RNA) where: Base-Base interactions energy: -3.884 where: short stacking energy: -3.884 Base-Backbone interact. energy: -0.000 local terms energy: -20.096433 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.210 flat angles P-C4'-P energy: -2.868 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: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -24.315207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.315207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.315207 (E_RNA) where: Base-Base interactions energy: -6.673 where: short stacking energy: -6.673 Base-Backbone interact. energy: -0.000 local terms energy: -17.642111 where: bonds (distance) C4'-P energy: -2.867 bonds (distance) P-C4' energy: -3.751 flat angles C4'-P-C4' energy: -4.471 flat angles P-C4'-P energy: -3.702 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: 1, replica: 3 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -25.090897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.090897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.090897 (E_RNA) where: Base-Base interactions energy: -7.412 where: short stacking energy: -7.412 Base-Backbone interact. energy: -0.004 local terms energy: -17.675650 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.203 flat angles P-C4'-P energy: -2.618 tors. eta vs tors. theta energy: -2.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -27.192428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.192428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.192428 (E_RNA) where: Base-Base interactions energy: -6.813 where: short stacking energy: -6.813 Base-Backbone interact. energy: -0.000 local terms energy: -20.379243 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.355 flat angles P-C4'-P energy: -3.824 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: 3, replica: 2 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -27.102300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.102300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.102300 (E_RNA) where: Base-Base interactions energy: -9.592 where: short stacking energy: -9.592 Base-Backbone interact. energy: -0.000 local terms energy: -17.510167 where: bonds (distance) C4'-P energy: -2.387 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.062 flat angles P-C4'-P energy: -3.441 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: 4, replica: 5 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -24.924829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.924829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.924829 (E_RNA) where: Base-Base interactions energy: -8.460 where: short stacking energy: -8.460 Base-Backbone interact. energy: -0.000 local terms energy: -16.464485 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -3.388 flat angles P-C4'-P energy: -3.306 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: 5, replica: 7 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -23.556120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.556120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.556120 (E_RNA) where: Base-Base interactions energy: -5.951 where: short stacking energy: -6.503 Base-Backbone interact. energy: -0.008 local terms energy: -17.597226 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -3.815 flat angles C4'-P-C4' energy: -2.472 flat angles P-C4'-P energy: -4.021 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: 6, replica: 4 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -23.033565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.033565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.033565 (E_RNA) where: Base-Base interactions energy: -6.900 where: short stacking energy: -6.900 Base-Backbone interact. energy: -0.000 local terms energy: -16.132862 where: bonds (distance) C4'-P energy: -3.380 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -2.277 flat angles P-C4'-P energy: -2.823 tors. eta vs tors. theta energy: -3.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -22.548663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.548663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.548663 (E_RNA) where: Base-Base interactions energy: -8.118 where: short stacking energy: -8.118 Base-Backbone interact. energy: -0.001 local terms energy: -14.429596 where: bonds (distance) C4'-P energy: -4.009 bonds (distance) P-C4' energy: -3.984 flat angles C4'-P-C4' energy: -3.923 flat angles P-C4'-P energy: -2.623 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: 8, replica: 6 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -24.456539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.456539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.456539 (E_RNA) where: Base-Base interactions energy: -8.024 where: short stacking energy: -8.024 Base-Backbone interact. energy: -0.000 local terms energy: -16.432172 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.323 flat angles P-C4'-P energy: -2.312 tors. eta vs tors. theta energy: -0.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -20.739164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.739164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.739164 (E_RNA) where: Base-Base interactions energy: -5.544 where: short stacking energy: -5.544 Base-Backbone interact. energy: -0.100 local terms energy: -15.095236 where: bonds (distance) C4'-P energy: -3.094 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -3.903 flat angles P-C4'-P energy: -3.191 tors. eta vs tors. theta energy: -0.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -19.186951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.186951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.186951 (E_RNA) where: Base-Base interactions energy: -4.614 where: short stacking energy: -4.614 Base-Backbone interact. energy: -0.000 local terms energy: -14.573081 where: bonds (distance) C4'-P energy: -3.673 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -2.900 flat angles P-C4'-P energy: -1.416 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: 1, replica: 3 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -31.008704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.008704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.008704 (E_RNA) where: Base-Base interactions energy: -12.421 where: short stacking energy: -12.421 Base-Backbone interact. energy: -0.000 local terms energy: -18.587169 where: bonds (distance) C4'-P energy: -3.169 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.032 flat angles P-C4'-P energy: -2.924 tors. eta vs tors. theta energy: -3.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -27.524423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.524423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.524423 (E_RNA) where: Base-Base interactions energy: -8.539 where: short stacking energy: -8.539 Base-Backbone interact. energy: -0.000 local terms energy: -18.984960 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.807 flat angles P-C4'-P energy: -1.599 tors. eta vs tors. theta energy: -4.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -27.578257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.578257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.578257 (E_RNA) where: Base-Base interactions energy: -9.305 where: short stacking energy: -9.305 Base-Backbone interact. energy: -0.000 local terms energy: -18.273049 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -3.235 flat angles P-C4'-P energy: -1.789 tors. eta vs tors. theta energy: -4.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -27.669239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.669239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.669239 (E_RNA) where: Base-Base interactions energy: -11.373 where: short stacking energy: -11.373 Base-Backbone interact. energy: -0.000 local terms energy: -16.296009 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -2.361 flat angles P-C4'-P energy: -1.876 tors. eta vs tors. theta energy: -2.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -22.606097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.606097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.606097 (E_RNA) where: Base-Base interactions energy: -6.197 where: short stacking energy: -6.197 Base-Backbone interact. energy: -0.028 local terms energy: -16.381083 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.865 flat angles P-C4'-P energy: -3.447 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: 6, replica: 8 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -24.255381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.255381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.255381 (E_RNA) where: Base-Base interactions energy: -7.994 where: short stacking energy: -7.994 Base-Backbone interact. energy: -0.009 local terms energy: -16.252349 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.020 flat angles P-C4'-P energy: -1.965 tors. eta vs tors. theta energy: -2.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -25.614592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.614592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.614592 (E_RNA) where: Base-Base interactions energy: -8.340 where: short stacking energy: -8.340 Base-Backbone interact. energy: -0.001 local terms energy: -17.273156 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -2.538 flat angles P-C4'-P energy: -3.093 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: 8, replica: 10 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -24.958342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.958342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.958342 (E_RNA) where: Base-Base interactions energy: -7.958 where: short stacking energy: -7.958 Base-Backbone interact. energy: -0.009 local terms energy: -16.991208 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -3.849 flat angles C4'-P-C4' energy: -4.223 flat angles P-C4'-P energy: -2.557 tors. eta vs tors. theta energy: -1.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -22.331497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.331497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.331497 (E_RNA) where: Base-Base interactions energy: -6.831 where: short stacking energy: -6.831 Base-Backbone interact. energy: -0.000 local terms energy: -15.500027 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -3.643 flat angles C4'-P-C4' energy: -4.854 flat angles P-C4'-P energy: -2.056 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: 10, replica: 9 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -20.831870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.831870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.831870 (E_RNA) where: Base-Base interactions energy: -7.916 where: short stacking energy: -7.916 Base-Backbone interact. energy: -0.000 local terms energy: -12.915285 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -2.382 flat angles P-C4'-P energy: -1.622 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: 2 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -29.077074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.077074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.077074 (E_RNA) where: Base-Base interactions energy: -11.046 where: short stacking energy: -11.046 Base-Backbone interact. energy: -0.000 local terms energy: -18.030663 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.907 flat angles P-C4'-P energy: -2.936 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: 2, replica: 3 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -24.812973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.812973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.812973 (E_RNA) where: Base-Base interactions energy: -8.112 where: short stacking energy: -8.112 Base-Backbone interact. energy: -0.084 local terms energy: -16.616274 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.138 flat angles P-C4'-P energy: -3.311 tors. eta vs tors. theta energy: -0.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -22.517815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.517815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.517815 (E_RNA) where: Base-Base interactions energy: -6.346 where: short stacking energy: -6.346 Base-Backbone interact. energy: -0.057 local terms energy: -16.114602 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -3.376 flat angles P-C4'-P energy: -3.901 tors. eta vs tors. theta energy: -0.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -24.178528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.178528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.178528 (E_RNA) where: Base-Base interactions energy: -8.091 where: short stacking energy: -8.091 Base-Backbone interact. energy: -0.000 local terms energy: -16.087814 where: bonds (distance) C4'-P energy: -3.045 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.308 flat angles P-C4'-P energy: -2.392 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: 5, replica: 8 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -23.946365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.946365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.946365 (E_RNA) where: Base-Base interactions energy: -7.476 where: short stacking energy: -7.476 Base-Backbone interact. energy: -0.051 local terms energy: -16.419860 where: bonds (distance) C4'-P energy: -3.789 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -3.921 flat angles P-C4'-P energy: -3.582 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: 6, replica: 5 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -24.613627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.613627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.613627 (E_RNA) where: Base-Base interactions energy: -7.632 where: short stacking energy: -7.632 Base-Backbone interact. energy: -0.000 local terms energy: -16.981807 where: bonds (distance) C4'-P energy: -2.751 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.307 flat angles P-C4'-P energy: -2.490 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: 7, replica: 10 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -23.266399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.266399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.266399 (E_RNA) where: Base-Base interactions energy: -7.078 where: short stacking energy: -7.078 Base-Backbone interact. energy: -0.000 local terms energy: -16.188610 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -3.075 flat angles C4'-P-C4' energy: -4.434 flat angles P-C4'-P energy: -1.524 tors. eta vs tors. theta energy: -3.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -22.622878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.622878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.622878 (E_RNA) where: Base-Base interactions energy: -3.228 where: short stacking energy: -3.228 Base-Backbone interact. energy: -0.000 local terms energy: -19.394531 where: bonds (distance) C4'-P energy: -4.311 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -3.498 flat angles P-C4'-P energy: -3.356 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: 9 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -21.687782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.687782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.687782 (E_RNA) where: Base-Base interactions energy: -6.061 where: short stacking energy: -6.061 Base-Backbone interact. energy: -0.081 local terms energy: -15.545891 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.848 flat angles P-C4'-P energy: -1.234 tors. eta vs tors. theta energy: -1.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -19.344414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.344414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.344414 (E_RNA) where: Base-Base interactions energy: -4.356 where: short stacking energy: -4.356 Base-Backbone interact. energy: -0.000 local terms energy: -14.988499 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -2.988 flat angles P-C4'-P energy: -1.960 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: 1, replica: 2 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -28.140226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.140226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.140226 (E_RNA) where: Base-Base interactions energy: -8.578 where: short stacking energy: -8.578 Base-Backbone interact. energy: -0.000 local terms energy: -19.562153 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.023 flat angles P-C4'-P energy: -2.280 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: 7 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -30.367450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.367450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.367450 (E_RNA) where: Base-Base interactions energy: -11.277 where: short stacking energy: -11.277 Base-Backbone interact. energy: -0.000 local terms energy: -19.090438 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -3.980 flat angles P-C4'-P energy: -4.034 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: 3, replica: 3 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -24.803960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.803960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.803960 (E_RNA) where: Base-Base interactions energy: -7.688 where: short stacking energy: -7.688 Base-Backbone interact. energy: -0.724 local terms energy: -16.391400 where: bonds (distance) C4'-P energy: -2.689 bonds (distance) P-C4' energy: -4.631 flat angles C4'-P-C4' energy: -4.177 flat angles P-C4'-P energy: -3.554 tors. eta vs tors. theta energy: -1.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -29.576187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.576187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.576187 (E_RNA) where: Base-Base interactions energy: -12.042 where: short stacking energy: -12.042 Base-Backbone interact. energy: -0.000 local terms energy: -17.534296 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -4.336 flat angles C4'-P-C4' energy: -3.209 flat angles P-C4'-P energy: -3.104 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: 5, replica: 1 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -25.459631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.459631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.459631 (E_RNA) where: Base-Base interactions energy: -7.846 where: short stacking energy: -7.846 Base-Backbone interact. energy: -0.098 local terms energy: -17.515893 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.305 flat angles P-C4'-P energy: -1.574 tors. eta vs tors. theta energy: -2.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -21.278463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.278463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.278463 (E_RNA) where: Base-Base interactions energy: -4.351 where: short stacking energy: -4.351 Base-Backbone interact. energy: -0.066 local terms energy: -16.860737 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -4.500 flat angles P-C4'-P energy: -2.936 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: 7, replica: 5 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -21.398981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.398981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.398981 (E_RNA) where: Base-Base interactions energy: -5.798 where: short stacking energy: -5.798 Base-Backbone interact. energy: -0.005 local terms energy: -15.595838 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.519 flat angles P-C4'-P energy: -1.896 tors. eta vs tors. theta energy: -0.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -21.502424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.502424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.502424 (E_RNA) where: Base-Base interactions energy: -6.406 where: short stacking energy: -6.406 Base-Backbone interact. energy: -0.000 local terms energy: -15.096696 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -4.095 flat angles P-C4'-P energy: -1.607 tors. eta vs tors. theta energy: -0.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -23.919534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.919534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.919534 (E_RNA) where: Base-Base interactions energy: -7.237 where: short stacking energy: -7.237 Base-Backbone interact. energy: -0.000 local terms energy: -16.682908 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -1.865 flat angles P-C4'-P energy: -2.393 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: 10, replica: 6 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -21.117437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.117437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.117437 (E_RNA) where: Base-Base interactions energy: -6.698 where: short stacking energy: -6.698 Base-Backbone interact. energy: -0.000 local terms energy: -14.419250 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -4.631 flat angles C4'-P-C4' energy: -3.277 flat angles P-C4'-P energy: -2.454 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: 1, replica: 7 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -29.479709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.479709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.479709 (E_RNA) where: Base-Base interactions energy: -11.860 where: short stacking energy: -11.860 Base-Backbone interact. energy: 0.265 local terms energy: -17.884391 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.276 flat angles P-C4'-P energy: -1.565 tors. eta vs tors. theta energy: -2.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -21.466956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.466956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.466956 (E_RNA) where: Base-Base interactions energy: -3.507 where: short stacking energy: -3.507 Base-Backbone interact. energy: -0.010 local terms energy: -17.950623 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -4.339 flat angles C4'-P-C4' energy: -3.792 flat angles P-C4'-P energy: -3.637 tors. eta vs tors. theta energy: -1.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -23.995247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.995247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.995247 (E_RNA) where: Base-Base interactions energy: -6.557 where: short stacking energy: -6.557 Base-Backbone interact. energy: -0.027 local terms energy: -17.410852 where: bonds (distance) C4'-P energy: -4.270 bonds (distance) P-C4' energy: -4.054 flat angles C4'-P-C4' energy: -2.057 flat angles P-C4'-P energy: -3.995 tors. eta vs tors. theta energy: -3.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -27.128092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.128092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.128092 (E_RNA) where: Base-Base interactions energy: -9.309 where: short stacking energy: -9.309 Base-Backbone interact. energy: -0.001 local terms energy: -17.818533 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.205 flat angles P-C4'-P energy: -2.690 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: 5, replica: 10 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -21.849276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.849276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.849276 (E_RNA) where: Base-Base interactions energy: -6.289 where: short stacking energy: -6.289 Base-Backbone interact. energy: -0.018 local terms energy: -15.541472 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.656 flat angles C4'-P-C4' energy: -4.398 flat angles P-C4'-P energy: -2.837 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: 6, replica: 1 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -28.149676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.149676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.149676 (E_RNA) where: Base-Base interactions energy: -9.531 where: short stacking energy: -9.531 Base-Backbone interact. energy: -0.000 local terms energy: -18.619136 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.724 flat angles P-C4'-P energy: -2.255 tors. eta vs tors. theta energy: -3.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -22.752062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.752062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.752062 (E_RNA) where: Base-Base interactions energy: -5.831 where: short stacking energy: -5.831 Base-Backbone interact. energy: -0.001 local terms energy: -16.919377 where: bonds (distance) C4'-P energy: -2.962 bonds (distance) P-C4' energy: -4.575 flat angles C4'-P-C4' energy: -4.755 flat angles P-C4'-P energy: -2.833 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: 8, replica: 5 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -20.353590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.353590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.353590 (E_RNA) where: Base-Base interactions energy: -5.363 where: short stacking energy: -5.363 Base-Backbone interact. energy: -0.006 local terms energy: -14.984439 where: bonds (distance) C4'-P energy: -2.859 bonds (distance) P-C4' energy: -4.839 flat angles C4'-P-C4' energy: -4.472 flat angles P-C4'-P energy: -1.739 tors. eta vs tors. theta energy: -1.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -20.623109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.623109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.623109 (E_RNA) where: Base-Base interactions energy: -7.419 where: short stacking energy: -7.419 Base-Backbone interact. energy: -0.000 local terms energy: -13.204153 where: bonds (distance) C4'-P energy: -3.161 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -3.696 flat angles P-C4'-P energy: -2.442 tors. eta vs tors. theta energy: 0.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -19.348071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.348071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.348071 (E_RNA) where: Base-Base interactions energy: -4.137 where: short stacking energy: -4.137 Base-Backbone interact. energy: -0.000 local terms energy: -15.210804 where: bonds (distance) C4'-P energy: -2.611 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.791 flat angles P-C4'-P energy: -2.349 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: 7 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -28.606491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.606491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.606491 (E_RNA) where: Base-Base interactions energy: -7.711 where: short stacking energy: -7.711 Base-Backbone interact. energy: -0.000 local terms energy: -20.895601 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.394 flat angles P-C4'-P energy: -3.721 tors. eta vs tors. theta energy: -3.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -28.420712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.420712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.420712 (E_RNA) where: Base-Base interactions energy: -9.054 where: short stacking energy: -9.106 Base-Backbone interact. energy: -0.164 local terms energy: -19.203612 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.594 flat angles P-C4'-P energy: -2.221 tors. eta vs tors. theta energy: -3.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -25.965481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.965481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.965481 (E_RNA) where: Base-Base interactions energy: -7.926 where: short stacking energy: -7.926 Base-Backbone interact. energy: -0.000 local terms energy: -18.039560 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -3.801 flat angles P-C4'-P energy: -2.102 tors. eta vs tors. theta energy: -3.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -24.702077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.702077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.702077 (E_RNA) where: Base-Base interactions energy: -7.290 where: short stacking energy: -7.290 Base-Backbone interact. energy: -0.000 local terms energy: -17.412119 where: bonds (distance) C4'-P energy: -2.279 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.396 flat angles P-C4'-P energy: -2.941 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: 10 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -27.008182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.008182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.008182 (E_RNA) where: Base-Base interactions energy: -7.028 where: short stacking energy: -7.028 Base-Backbone interact. energy: -0.000 local terms energy: -19.979816 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.779 flat angles P-C4'-P energy: -4.036 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: 6, replica: 9 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -25.771691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.771691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.771691 (E_RNA) where: Base-Base interactions energy: -11.522 where: short stacking energy: -11.522 Base-Backbone interact. energy: -0.020 local terms energy: -14.229107 where: bonds (distance) C4'-P energy: -1.037 bonds (distance) P-C4' energy: -2.870 flat angles C4'-P-C4' energy: -4.182 flat angles P-C4'-P energy: -3.128 tors. eta vs tors. theta energy: -3.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -24.077714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.077714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.077714 (E_RNA) where: Base-Base interactions energy: -7.563 where: short stacking energy: -7.563 Base-Backbone interact. energy: -0.000 local terms energy: -16.514237 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.815 flat angles C4'-P-C4' energy: -4.117 flat angles P-C4'-P energy: -3.502 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: 8, replica: 6 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -20.683496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.683496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.683496 (E_RNA) where: Base-Base interactions energy: -6.933 where: short stacking energy: -6.933 Base-Backbone interact. energy: -0.000 local terms energy: -13.750411 where: bonds (distance) C4'-P energy: -1.738 bonds (distance) P-C4' energy: -3.987 flat angles C4'-P-C4' energy: -4.119 flat angles P-C4'-P energy: -1.769 tors. eta vs tors. theta energy: -2.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -23.730907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.730907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.730907 (E_RNA) where: Base-Base interactions energy: -7.648 where: short stacking energy: -7.648 Base-Backbone interact. energy: -0.005 local terms energy: -16.078795 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -2.402 flat angles P-C4'-P energy: -2.506 tors. eta vs tors. theta energy: -2.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -21.486467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.486467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.486467 (E_RNA) where: Base-Base interactions energy: -5.458 where: short stacking energy: -5.458 Base-Backbone interact. energy: -0.094 local terms energy: -15.934012 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.336 flat angles C4'-P-C4' energy: -2.983 flat angles P-C4'-P energy: -3.514 tors. eta vs tors. theta energy: -0.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -25.233318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.233318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.233318 (E_RNA) where: Base-Base interactions energy: -10.033 where: short stacking energy: -10.033 Base-Backbone interact. energy: -0.001 local terms energy: -15.200185 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.631 flat angles C4'-P-C4' energy: -2.823 flat angles P-C4'-P energy: -1.548 tors. eta vs tors. theta energy: -1.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -33.593744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.593744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.593744 (E_RNA) where: Base-Base interactions energy: -11.081 where: short stacking energy: -11.081 Base-Backbone interact. energy: -0.000 local terms energy: -22.512914 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.239 flat angles P-C4'-P energy: -3.540 tors. eta vs tors. theta energy: -4.985 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: 3, replica: 3 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -31.193814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.193814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.193814 (E_RNA) where: Base-Base interactions energy: -12.401 where: short stacking energy: -12.401 Base-Backbone interact. energy: -0.000 local terms energy: -18.793168 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -3.301 flat angles C4'-P-C4' energy: -4.805 flat angles P-C4'-P energy: -3.373 tors. eta vs tors. theta energy: -3.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -23.027137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.027137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.027137 (E_RNA) where: Base-Base interactions energy: -7.764 where: short stacking energy: -7.764 Base-Backbone interact. energy: -0.093 local terms energy: -15.170874 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -3.656 flat angles C4'-P-C4' energy: -2.845 flat angles P-C4'-P energy: -3.731 tors. eta vs tors. theta energy: -1.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -25.751607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.751607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.751607 (E_RNA) where: Base-Base interactions energy: -9.852 where: short stacking energy: -9.852 Base-Backbone interact. energy: -0.000 local terms energy: -15.899387 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -2.317 flat angles C4'-P-C4' energy: -3.721 flat angles P-C4'-P energy: -0.326 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: 6, replica: 10 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -22.454456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.454456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.454456 (E_RNA) where: Base-Base interactions energy: -4.655 where: short stacking energy: -4.655 Base-Backbone interact. energy: -0.000 local terms energy: -17.799664 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.241 flat angles P-C4'-P energy: -3.292 tors. eta vs tors. theta energy: -1.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -23.676522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.676522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.676522 (E_RNA) where: Base-Base interactions energy: -5.723 where: short stacking energy: -5.723 Base-Backbone interact. energy: -0.000 local terms energy: -17.953409 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -3.548 flat angles C4'-P-C4' energy: -4.394 flat angles P-C4'-P energy: -1.214 tors. eta vs tors. theta energy: -4.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -24.986968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.986968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.986968 (E_RNA) where: Base-Base interactions energy: -8.223 where: short stacking energy: -8.223 Base-Backbone interact. energy: -0.000 local terms energy: -16.764347 where: bonds (distance) C4'-P energy: -2.279 bonds (distance) P-C4' energy: -4.631 flat angles C4'-P-C4' energy: -4.920 flat angles P-C4'-P energy: -0.846 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: 9, replica: 4 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -24.909540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.909540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.909540 (E_RNA) where: Base-Base interactions energy: -8.656 where: short stacking energy: -8.656 Base-Backbone interact. energy: -0.000 local terms energy: -16.253703 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -1.968 flat angles P-C4'-P energy: -3.518 tors. eta vs tors. theta energy: -2.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -22.878037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.878037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.878037 (E_RNA) where: Base-Base interactions energy: -5.906 where: short stacking energy: -5.906 Base-Backbone interact. energy: -0.085 local terms energy: -16.887151 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.705 flat angles P-C4'-P energy: -4.033 tors. eta vs tors. theta energy: -0.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -27.293804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.293804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.293804 (E_RNA) where: Base-Base interactions energy: -8.396 where: short stacking energy: -8.396 Base-Backbone interact. energy: -0.000 local terms energy: -18.898050 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.631 flat angles C4'-P-C4' energy: -3.396 flat angles P-C4'-P energy: -1.562 tors. eta vs tors. theta energy: -4.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -25.195484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.195484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.195484 (E_RNA) where: Base-Base interactions energy: -6.710 where: short stacking energy: -6.710 Base-Backbone interact. energy: -0.001 local terms energy: -18.484787 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.152 flat angles P-C4'-P energy: -3.191 tors. eta vs tors. theta energy: -1.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -23.978708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.978708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.978708 (E_RNA) where: Base-Base interactions energy: -8.213 where: short stacking energy: -8.213 Base-Backbone interact. energy: -0.079 local terms energy: -15.685863 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -3.892 flat angles P-C4'-P energy: -3.440 tors. eta vs tors. theta energy: 0.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -25.765479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.765479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.765479 (E_RNA) where: Base-Base interactions energy: -11.498 where: short stacking energy: -11.498 Base-Backbone interact. energy: -0.140 local terms energy: -14.127633 where: bonds (distance) C4'-P energy: -3.487 bonds (distance) P-C4' energy: -2.416 flat angles C4'-P-C4' energy: -3.567 flat angles P-C4'-P energy: -2.775 tors. eta vs tors. theta energy: -1.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -22.011101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.011101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.011101 (E_RNA) where: Base-Base interactions energy: -5.770 where: short stacking energy: -5.770 Base-Backbone interact. energy: -0.003 local terms energy: -16.238801 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -4.051 flat angles C4'-P-C4' energy: -4.384 flat angles P-C4'-P energy: -2.693 tors. eta vs tors. theta energy: -0.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -26.993939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.993939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.993939 (E_RNA) where: Base-Base interactions energy: -11.478 where: short stacking energy: -11.478 Base-Backbone interact. energy: -0.000 local terms energy: -15.516392 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -1.261 flat angles C4'-P-C4' energy: -4.358 flat angles P-C4'-P energy: -0.794 tors. eta vs tors. theta energy: -5.056 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: 6 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -28.167868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.167868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.167868 (E_RNA) where: Base-Base interactions energy: -11.649 where: short stacking energy: -11.649 Base-Backbone interact. energy: -0.099 local terms energy: -16.420275 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -3.815 flat angles C4'-P-C4' energy: -4.434 flat angles P-C4'-P energy: -2.181 tors. eta vs tors. theta energy: -1.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -21.388623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.388623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.388623 (E_RNA) where: Base-Base interactions energy: -6.494 where: short stacking energy: -6.494 Base-Backbone interact. energy: -0.000 local terms energy: -14.894355 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -2.857 flat angles P-C4'-P energy: -2.517 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: 9, replica: 1 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -25.260608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.260608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.260608 (E_RNA) where: Base-Base interactions energy: -10.961 where: short stacking energy: -10.961 Base-Backbone interact. energy: -0.002 local terms energy: -14.297224 where: bonds (distance) C4'-P energy: -2.402 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.169 flat angles P-C4'-P energy: -0.915 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: 10, replica: 5 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -20.940969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.940969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.940969 (E_RNA) where: Base-Base interactions energy: -3.839 where: short stacking energy: -3.839 Base-Backbone interact. energy: -0.000 local terms energy: -17.102146 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.063 flat angles P-C4'-P energy: -3.605 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: 1, replica: 8 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -29.426041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.426041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.426041 (E_RNA) where: Base-Base interactions energy: -10.270 where: short stacking energy: -10.270 Base-Backbone interact. energy: -0.000 local terms energy: -19.156140 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -3.981 flat angles C4'-P-C4' energy: -3.571 flat angles P-C4'-P energy: -3.702 tors. eta vs tors. theta energy: -3.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -24.319342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.319342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.319342 (E_RNA) where: Base-Base interactions energy: -7.715 where: short stacking energy: -7.715 Base-Backbone interact. energy: -0.009 local terms energy: -16.595891 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.783 flat angles P-C4'-P energy: -3.946 tors. eta vs tors. theta energy: -0.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -21.173558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.173558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.173558 (E_RNA) where: Base-Base interactions energy: -4.210 where: short stacking energy: -4.210 Base-Backbone interact. energy: -0.241 local terms energy: -16.721774 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.043 flat angles P-C4'-P energy: -2.118 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: 4, replica: 7 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -27.607790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.607790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.607790 (E_RNA) where: Base-Base interactions energy: -11.323 where: short stacking energy: -11.323 Base-Backbone interact. energy: -0.041 local terms energy: -16.244297 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -3.984 flat angles C4'-P-C4' energy: -4.746 flat angles P-C4'-P energy: -0.228 tors. eta vs tors. theta energy: -3.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -28.555280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.555280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.555280 (E_RNA) where: Base-Base interactions energy: -10.183 where: short stacking energy: -10.183 Base-Backbone interact. energy: -0.000 local terms energy: -18.372178 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -3.751 flat angles C4'-P-C4' energy: -4.517 flat angles P-C4'-P energy: -3.460 tors. eta vs tors. theta energy: -2.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -20.988582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.988582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.988582 (E_RNA) where: Base-Base interactions energy: -3.602 where: short stacking energy: -3.602 Base-Backbone interact. energy: -0.092 local terms energy: -17.294426 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.276 flat angles P-C4'-P energy: -3.243 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: 4 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -22.504995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.504995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.504995 (E_RNA) where: Base-Base interactions energy: -7.116 where: short stacking energy: -7.116 Base-Backbone interact. energy: -0.003 local terms energy: -15.386036 where: bonds (distance) C4'-P energy: -3.152 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -3.114 flat angles P-C4'-P energy: -3.843 tors. eta vs tors. theta energy: -0.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -21.196208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.196208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.196208 (E_RNA) where: Base-Base interactions energy: -7.215 where: short stacking energy: -7.215 Base-Backbone interact. energy: -0.002 local terms energy: -13.978930 where: bonds (distance) C4'-P energy: -2.900 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -1.105 flat angles P-C4'-P energy: -3.709 tors. eta vs tors. theta energy: -1.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -21.101370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.101370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.101370 (E_RNA) where: Base-Base interactions energy: -7.579 where: short stacking energy: -7.579 Base-Backbone interact. energy: -1.016 local terms energy: -12.505773 where: bonds (distance) C4'-P energy: -1.500 bonds (distance) P-C4' energy: -3.815 flat angles C4'-P-C4' energy: -2.730 flat angles P-C4'-P energy: -3.403 tors. eta vs tors. theta energy: -1.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -21.964287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.964287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.964287 (E_RNA) where: Base-Base interactions energy: -4.567 where: short stacking energy: -4.567 Base-Backbone interact. energy: -0.000 local terms energy: -17.396838 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.061 flat angles P-C4'-P energy: -2.159 tors. eta vs tors. theta energy: -1.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -29.608969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.608969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.608969 (E_RNA) where: Base-Base interactions energy: -8.546 where: short stacking energy: -8.546 Base-Backbone interact. energy: -0.010 local terms energy: -21.053332 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.470 flat angles P-C4'-P energy: -3.110 tors. eta vs tors. theta energy: -3.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -25.658646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.658646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.658646 (E_RNA) where: Base-Base interactions energy: -11.077 where: short stacking energy: -11.077 Base-Backbone interact. energy: -0.000 local terms energy: -14.581798 where: bonds (distance) C4'-P energy: -0.702 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.571 flat angles P-C4'-P energy: -2.345 tors. eta vs tors. theta energy: -2.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -29.522707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.522707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.522707 (E_RNA) where: Base-Base interactions energy: -10.770 where: short stacking energy: -10.770 Base-Backbone interact. energy: -0.000 local terms energy: -18.752865 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -2.383 flat angles C4'-P-C4' energy: -4.207 flat angles P-C4'-P energy: -3.399 tors. eta vs tors. theta energy: -4.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -21.643263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.643263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.643263 (E_RNA) where: Base-Base interactions energy: -9.756 where: short stacking energy: -9.756 Base-Backbone interact. energy: -0.039 local terms energy: -11.847471 where: bonds (distance) C4'-P energy: -2.859 bonds (distance) P-C4' energy: -3.815 flat angles C4'-P-C4' energy: -1.055 flat angles P-C4'-P energy: -2.500 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: 5, replica: 7 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -26.908160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.908160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.908160 (E_RNA) where: Base-Base interactions energy: -10.214 where: short stacking energy: -10.214 Base-Backbone interact. energy: -0.001 local terms energy: -16.692998 where: bonds (distance) C4'-P energy: -3.140 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.928 flat angles P-C4'-P energy: -3.204 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: 6, replica: 4 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -25.084771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.084771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.084771 (E_RNA) where: Base-Base interactions energy: -6.135 where: short stacking energy: -6.135 Base-Backbone interact. energy: -0.000 local terms energy: -18.950260 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.256 flat angles P-C4'-P energy: -3.220 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: 7, replica: 2 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -23.676490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.676490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.676490 (E_RNA) where: Base-Base interactions energy: -7.875 where: short stacking energy: -7.875 Base-Backbone interact. energy: -0.000 local terms energy: -15.801465 where: bonds (distance) C4'-P energy: -3.273 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.882 flat angles P-C4'-P energy: -1.299 tors. eta vs tors. theta energy: -2.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -21.276448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.276448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.276448 (E_RNA) where: Base-Base interactions energy: -3.786 where: short stacking energy: -3.786 Base-Backbone interact. energy: -0.005 local terms energy: -17.485659 where: bonds (distance) C4'-P energy: -3.185 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -4.485 flat angles P-C4'-P energy: -3.435 tors. eta vs tors. theta energy: -1.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -20.829192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.829192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.829192 (E_RNA) where: Base-Base interactions energy: -7.635 where: short stacking energy: -7.635 Base-Backbone interact. energy: -0.001 local terms energy: -13.193660 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -3.615 flat angles P-C4'-P energy: -0.393 tors. eta vs tors. theta energy: -0.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -21.471161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.471161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.471161 (E_RNA) where: Base-Base interactions energy: -7.064 where: short stacking energy: -7.064 Base-Backbone interact. energy: -0.074 local terms energy: -14.333157 where: bonds (distance) C4'-P energy: -3.869 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -1.643 flat angles P-C4'-P energy: -3.988 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: 1, replica: 9 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -26.558142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.558142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.558142 (E_RNA) where: Base-Base interactions energy: -7.148 where: short stacking energy: -7.148 Base-Backbone interact. energy: -0.023 local terms energy: -19.387295 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.435 flat angles P-C4'-P energy: -4.024 tors. eta vs tors. theta energy: -1.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -31.072522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.072522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.072522 (E_RNA) where: Base-Base interactions energy: -10.659 where: short stacking energy: -10.659 Base-Backbone interact. energy: -0.000 local terms energy: -20.413792 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.114 flat angles P-C4'-P energy: -2.473 tors. eta vs tors. theta energy: -4.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -26.315537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.315537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.315537 (E_RNA) where: Base-Base interactions energy: -7.925 where: short stacking energy: -7.925 Base-Backbone interact. energy: -0.067 local terms energy: -18.323554 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.510 flat angles P-C4'-P energy: -3.256 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: 4, replica: 3 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -24.043596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.043596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.043596 (E_RNA) where: Base-Base interactions energy: -7.676 where: short stacking energy: -7.676 Base-Backbone interact. energy: -0.002 local terms energy: -16.365694 where: bonds (distance) C4'-P energy: -3.479 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.697 flat angles P-C4'-P energy: -3.349 tors. eta vs tors. theta energy: -1.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -23.245836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.245836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.245836 (E_RNA) where: Base-Base interactions energy: -8.231 where: short stacking energy: -8.279 Base-Backbone interact. energy: -0.015 local terms energy: -14.999898 where: bonds (distance) C4'-P energy: -2.912 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.373 flat angles P-C4'-P energy: -3.022 tors. eta vs tors. theta energy: -0.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -23.326097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.326097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.326097 (E_RNA) where: Base-Base interactions energy: -5.721 where: short stacking energy: -5.721 Base-Backbone interact. energy: -0.449 local terms energy: -17.156371 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.138 flat angles P-C4'-P energy: -3.539 tors. eta vs tors. theta energy: -0.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -21.130278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.130278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.130278 (E_RNA) where: Base-Base interactions energy: -5.982 where: short stacking energy: -5.982 Base-Backbone interact. energy: -0.092 local terms energy: -15.056191 where: bonds (distance) C4'-P energy: -2.892 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.916 flat angles P-C4'-P energy: -2.435 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: 8, replica: 2 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -25.671874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.671874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.671874 (E_RNA) where: Base-Base interactions energy: -9.374 where: short stacking energy: -9.374 Base-Backbone interact. energy: -0.022 local terms energy: -16.276673 where: bonds (distance) C4'-P energy: -3.433 bonds (distance) P-C4' energy: -5.128 flat angles C4'-P-C4' energy: -3.739 flat angles P-C4'-P energy: -0.630 tors. eta vs tors. theta energy: -3.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -19.224912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.224912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.224912 (E_RNA) where: Base-Base interactions energy: -5.739 where: short stacking energy: -5.739 Base-Backbone interact. energy: -0.000 local terms energy: -13.485862 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -3.604 flat angles P-C4'-P energy: -1.122 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: 10, replica: 6 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -20.862732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.862732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.862732 (E_RNA) where: Base-Base interactions energy: -4.629 where: short stacking energy: -4.629 Base-Backbone interact. energy: -0.031 local terms energy: -16.202633 where: bonds (distance) C4'-P energy: -2.411 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.231 flat angles P-C4'-P energy: -3.870 tors. eta vs tors. theta energy: -0.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -31.424821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.424821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.424821 (E_RNA) where: Base-Base interactions energy: -10.796 where: short stacking energy: -10.796 Base-Backbone interact. energy: -0.006 local terms energy: -20.623153 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.318 flat angles P-C4'-P energy: -3.835 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: 2, replica: 8 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -30.171417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.171417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.171417 (E_RNA) where: Base-Base interactions energy: -10.615 where: short stacking energy: -10.615 Base-Backbone interact. energy: -0.001 local terms energy: -19.555468 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.367 flat angles C4'-P-C4' energy: -4.873 flat angles P-C4'-P energy: -3.226 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: 3, replica: 10 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -28.302800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.302800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.302800 (E_RNA) where: Base-Base interactions energy: -10.793 where: short stacking energy: -10.793 Base-Backbone interact. energy: -0.027 local terms energy: -17.482967 where: bonds (distance) C4'-P energy: -3.169 bonds (distance) P-C4' energy: -3.723 flat angles C4'-P-C4' energy: -3.534 flat angles P-C4'-P energy: -3.430 tors. eta vs tors. theta energy: -3.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -25.860088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.860088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.860088 (E_RNA) where: Base-Base interactions energy: -9.229 where: short stacking energy: -9.229 Base-Backbone interact. energy: -0.000 local terms energy: -16.631423 where: bonds (distance) C4'-P energy: -3.397 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.053 flat angles P-C4'-P energy: -2.299 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: 5, replica: 3 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -22.655658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.655658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.655658 (E_RNA) where: Base-Base interactions energy: -6.361 where: short stacking energy: -6.361 Base-Backbone interact. energy: -1.061 local terms energy: -15.233320 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -3.887 flat angles P-C4'-P energy: -1.236 tors. eta vs tors. theta energy: -1.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -25.384132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.384132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.384132 (E_RNA) where: Base-Base interactions energy: -7.276 where: short stacking energy: -7.276 Base-Backbone interact. energy: -0.098 local terms energy: -18.009973 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.172 flat angles P-C4'-P energy: -3.777 tors. eta vs tors. theta energy: -1.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -22.167888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.167888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.167888 (E_RNA) where: Base-Base interactions energy: -7.933 where: short stacking energy: -7.933 Base-Backbone interact. energy: -0.000 local terms energy: -14.235247 where: bonds (distance) C4'-P energy: -3.053 bonds (distance) P-C4' energy: -3.885 flat angles C4'-P-C4' energy: -1.301 flat angles P-C4'-P energy: -2.667 tors. eta vs tors. theta energy: -3.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -23.064708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.064708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.064708 (E_RNA) where: Base-Base interactions energy: -8.489 where: short stacking energy: -8.489 Base-Backbone interact. energy: -0.024 local terms energy: -14.551451 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -2.138 flat angles P-C4'-P energy: -3.709 tors. eta vs tors. theta energy: 0.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -18.601858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.601858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.601858 (E_RNA) where: Base-Base interactions energy: -3.875 where: short stacking energy: -3.875 Base-Backbone interact. energy: -0.115 local terms energy: -14.612323 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.188 flat angles P-C4'-P energy: -3.284 tors. eta vs tors. theta energy: 1.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -24.944196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.944196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.944196 (E_RNA) where: Base-Base interactions energy: -6.198 where: short stacking energy: -6.198 Base-Backbone interact. energy: -0.000 local terms energy: -18.745814 where: bonds (distance) C4'-P energy: -4.233 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -4.280 flat angles P-C4'-P energy: -2.626 tors. eta vs tors. theta energy: -2.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -26.415029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.415029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.415029 (E_RNA) where: Base-Base interactions energy: -7.358 where: short stacking energy: -7.358 Base-Backbone interact. energy: -0.000 local terms energy: -19.056609 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -4.842 flat angles C4'-P-C4' energy: -3.066 flat angles P-C4'-P energy: -3.460 tors. eta vs tors. theta energy: -4.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -25.312470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.312470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.312470 (E_RNA) where: Base-Base interactions energy: -8.276 where: short stacking energy: -8.276 Base-Backbone interact. energy: -0.001 local terms energy: -17.035548 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -3.131 flat angles C4'-P-C4' energy: -3.813 flat angles P-C4'-P energy: -3.750 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: 3, replica: 4 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -24.328400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.328400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.328400 (E_RNA) where: Base-Base interactions energy: -8.125 where: short stacking energy: -8.125 Base-Backbone interact. energy: 0.703 local terms energy: -16.906808 where: bonds (distance) C4'-P energy: -3.344 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.574 flat angles P-C4'-P energy: -3.290 tors. eta vs tors. theta energy: -1.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -25.099024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.099024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.099024 (E_RNA) where: Base-Base interactions energy: -5.125 where: short stacking energy: -5.125 Base-Backbone interact. energy: -0.000 local terms energy: -19.974316 where: bonds (distance) C4'-P energy: -3.273 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.593 flat angles P-C4'-P energy: -3.404 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: 5 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -26.530638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.530638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.530638 (E_RNA) where: Base-Base interactions energy: -6.808 where: short stacking energy: -6.808 Base-Backbone interact. energy: -0.024 local terms energy: -19.698724 where: bonds (distance) C4'-P energy: -3.939 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.525 flat angles P-C4'-P energy: -3.015 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: 6, replica: 3 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -21.713781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.713781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.713781 (E_RNA) where: Base-Base interactions energy: -5.639 where: short stacking energy: -5.639 Base-Backbone interact. energy: -0.002 local terms energy: -16.071843 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -4.345 flat angles P-C4'-P energy: -2.971 tors. eta vs tors. theta energy: -0.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -22.691919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.691919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.691919 (E_RNA) where: Base-Base interactions energy: -7.606 where: short stacking energy: -7.606 Base-Backbone interact. energy: -0.068 local terms energy: -15.017891 where: bonds (distance) C4'-P energy: -3.053 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -4.360 flat angles P-C4'-P energy: -2.809 tors. eta vs tors. theta energy: -0.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -29.029806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.029806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.029806 (E_RNA) where: Base-Base interactions energy: -12.130 where: short stacking energy: -12.130 Base-Backbone interact. energy: -0.001 local terms energy: -16.898681 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.395 flat angles C4'-P-C4' energy: -3.466 flat angles P-C4'-P energy: -3.357 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: 9, replica: 6 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -19.440143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.440143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.440143 (E_RNA) where: Base-Base interactions energy: -4.646 where: short stacking energy: -4.646 Base-Backbone interact. energy: -0.000 local terms energy: -14.794543 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.113 flat angles P-C4'-P energy: -0.645 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: 10, replica: 2 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -20.507658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.507658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.507658 (E_RNA) where: Base-Base interactions energy: -6.932 where: short stacking energy: -6.932 Base-Backbone interact. energy: -0.000 local terms energy: -13.575538 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -3.845 flat angles C4'-P-C4' energy: -2.280 flat angles P-C4'-P energy: -2.797 tors. eta vs tors. theta energy: -0.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -26.020208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.020208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.020208 (E_RNA) where: Base-Base interactions energy: -8.417 where: short stacking energy: -8.417 Base-Backbone interact. energy: -0.000 local terms energy: -17.603272 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -3.790 flat angles C4'-P-C4' energy: -3.620 flat angles P-C4'-P energy: -2.852 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: 4 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -26.284118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.284118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.284118 (E_RNA) where: Base-Base interactions energy: -6.837 where: short stacking energy: -6.837 Base-Backbone interact. energy: -0.000 local terms energy: -19.447198 where: bonds (distance) C4'-P energy: -2.209 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.839 flat angles P-C4'-P energy: -2.277 tors. eta vs tors. theta energy: -5.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -27.379818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.379818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.379818 (E_RNA) where: Base-Base interactions energy: -10.655 where: short stacking energy: -10.655 Base-Backbone interact. energy: -0.003 local terms energy: -16.721467 where: bonds (distance) C4'-P energy: -2.146 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.136 flat angles P-C4'-P energy: -3.023 tors. eta vs tors. theta energy: -3.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -23.606027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.606027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.606027 (E_RNA) where: Base-Base interactions energy: -5.790 where: short stacking energy: -5.790 Base-Backbone interact. energy: -0.000 local terms energy: -17.815985 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.912 flat angles P-C4'-P energy: -2.822 tors. eta vs tors. theta energy: -2.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -21.105091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.105091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.105091 (E_RNA) where: Base-Base interactions energy: -3.952 where: short stacking energy: -3.952 Base-Backbone interact. energy: -0.001 local terms energy: -17.151935 where: bonds (distance) C4'-P energy: -2.804 bonds (distance) P-C4' energy: -3.984 flat angles C4'-P-C4' energy: -4.750 flat angles P-C4'-P energy: -3.921 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: 1 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -26.621643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.621643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.621643 (E_RNA) where: Base-Base interactions energy: -11.460 where: short stacking energy: -11.460 Base-Backbone interact. energy: -0.000 local terms energy: -15.161241 where: bonds (distance) C4'-P energy: -3.264 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -2.593 flat angles P-C4'-P energy: -3.235 tors. eta vs tors. theta energy: -1.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -22.472427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.472427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.472427 (E_RNA) where: Base-Base interactions energy: -7.235 where: short stacking energy: -7.235 Base-Backbone interact. energy: -0.005 local terms energy: -15.232758 where: bonds (distance) C4'-P energy: -3.314 bonds (distance) P-C4' energy: -4.413 flat angles C4'-P-C4' energy: -3.798 flat angles P-C4'-P energy: -2.852 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: 6 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -20.866628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.866628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.866628 (E_RNA) where: Base-Base interactions energy: -5.585 where: short stacking energy: -5.585 Base-Backbone interact. energy: -0.003 local terms energy: -15.278358 where: bonds (distance) C4'-P energy: -2.946 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.138 flat angles P-C4'-P energy: -2.255 tors. eta vs tors. theta energy: -0.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -25.782322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.782322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.782322 (E_RNA) where: Base-Base interactions energy: -9.179 where: short stacking energy: -9.179 Base-Backbone interact. energy: -0.000 local terms energy: -16.603332 where: bonds (distance) C4'-P energy: -3.152 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -2.832 flat angles P-C4'-P energy: -1.333 tors. eta vs tors. theta energy: -3.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -22.280425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.280425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.280425 (E_RNA) where: Base-Base interactions energy: -4.678 where: short stacking energy: -4.678 Base-Backbone interact. energy: -0.000 local terms energy: -17.602649 where: bonds (distance) C4'-P energy: -3.344 bonds (distance) P-C4' energy: -3.889 flat angles C4'-P-C4' energy: -4.524 flat angles P-C4'-P energy: -2.678 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: 1, replica: 4 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -30.625860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.625860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.625860 (E_RNA) where: Base-Base interactions energy: -10.949 where: short stacking energy: -10.949 Base-Backbone interact. energy: -0.001 local terms energy: -19.675389 where: bonds (distance) C4'-P energy: -2.696 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.257 flat angles P-C4'-P energy: -4.021 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: 2, replica: 8 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -27.221820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.221820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.221820 (E_RNA) where: Base-Base interactions energy: -8.105 where: short stacking energy: -8.105 Base-Backbone interact. energy: -0.031 local terms energy: -19.085981 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -4.498 flat angles P-C4'-P energy: -3.559 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: 5 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -26.692567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.692567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.692567 (E_RNA) where: Base-Base interactions energy: -6.959 where: short stacking energy: -6.959 Base-Backbone interact. energy: -0.000 local terms energy: -19.733347 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.135 flat angles P-C4'-P energy: -3.064 tors. eta vs tors. theta energy: -3.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -24.039293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.039293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.039293 (E_RNA) where: Base-Base interactions energy: -6.408 where: short stacking energy: -6.408 Base-Backbone interact. energy: -0.006 local terms energy: -17.624538 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.437 flat angles P-C4'-P energy: -3.362 tors. eta vs tors. theta energy: -0.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -25.239200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.239200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.239200 (E_RNA) where: Base-Base interactions energy: -8.215 where: short stacking energy: -8.215 Base-Backbone interact. energy: -0.000 local terms energy: -17.024443 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -4.110 flat angles C4'-P-C4' energy: -4.456 flat angles P-C4'-P energy: -2.404 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: 6, replica: 10 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -25.829546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.829546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.829546 (E_RNA) where: Base-Base interactions energy: -6.912 where: short stacking energy: -6.912 Base-Backbone interact. energy: -0.000 local terms energy: -18.917734 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -2.688 flat angles P-C4'-P energy: -2.711 tors. eta vs tors. theta energy: -4.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -21.167918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.167918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.167918 (E_RNA) where: Base-Base interactions energy: -5.593 where: short stacking energy: -5.593 Base-Backbone interact. energy: -0.000 local terms energy: -15.574583 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -4.294 flat angles P-C4'-P energy: -2.039 tors. eta vs tors. theta energy: -0.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -23.244715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.244715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.244715 (E_RNA) where: Base-Base interactions energy: -4.598 where: short stacking energy: -4.598 Base-Backbone interact. energy: -0.001 local terms energy: -18.646601 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -4.590 flat angles P-C4'-P energy: -2.738 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: 9, replica: 2 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -21.232316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.232316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.232316 (E_RNA) where: Base-Base interactions energy: -5.153 where: short stacking energy: -5.153 Base-Backbone interact. energy: -0.023 local terms energy: -16.056461 where: bonds (distance) C4'-P energy: -2.556 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.748 flat angles P-C4'-P energy: -3.727 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: 10, replica: 7 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -20.782677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.782677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.782677 (E_RNA) where: Base-Base interactions energy: -4.238 where: short stacking energy: -4.238 Base-Backbone interact. energy: -0.046 local terms energy: -16.498979 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.390 flat angles P-C4'-P energy: -2.531 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: 4 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -31.301894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.301894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.301894 (E_RNA) where: Base-Base interactions energy: -10.653 where: short stacking energy: -10.653 Base-Backbone interact. energy: -0.000 local terms energy: -20.649199 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.111 flat angles P-C4'-P energy: -3.560 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: 5 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -30.608914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.608914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.608914 (E_RNA) where: Base-Base interactions energy: -11.063 where: short stacking energy: -11.063 Base-Backbone interact. energy: -0.000 local terms energy: -19.545737 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.659 flat angles P-C4'-P energy: -2.469 tors. eta vs tors. theta energy: -3.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -28.900064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.900064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.900064 (E_RNA) where: Base-Base interactions energy: -11.020 where: short stacking energy: -11.020 Base-Backbone interact. energy: -0.051 local terms energy: -17.829624 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.027 flat angles P-C4'-P energy: -1.579 tors. eta vs tors. theta energy: -2.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -23.945935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.945935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.945935 (E_RNA) where: Base-Base interactions energy: -7.237 where: short stacking energy: -7.237 Base-Backbone interact. energy: -0.000 local terms energy: -16.708653 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.540 flat angles P-C4'-P energy: -1.333 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: 5, replica: 9 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -22.026236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.026236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.026236 (E_RNA) where: Base-Base interactions energy: -6.796 where: short stacking energy: -6.796 Base-Backbone interact. energy: -0.001 local terms energy: -15.229120 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -3.336 flat angles C4'-P-C4' energy: -3.551 flat angles P-C4'-P energy: -2.119 tors. eta vs tors. theta energy: -1.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -23.677993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.677993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.677993 (E_RNA) where: Base-Base interactions energy: -6.974 where: short stacking energy: -6.974 Base-Backbone interact. energy: -0.000 local terms energy: -16.704045 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -4.149 flat angles C4'-P-C4' energy: -4.012 flat angles P-C4'-P energy: -2.965 tors. eta vs tors. theta energy: -1.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -22.330658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.330658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.330658 (E_RNA) where: Base-Base interactions energy: -8.196 where: short stacking energy: -8.196 Base-Backbone interact. energy: -0.051 local terms energy: -14.084268 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -2.895 flat angles C4'-P-C4' energy: -2.646 flat angles P-C4'-P energy: -3.778 tors. eta vs tors. theta energy: -0.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -24.315635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.315635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.315635 (E_RNA) where: Base-Base interactions energy: -11.163 where: short stacking energy: -11.163 Base-Backbone interact. energy: -0.000 local terms energy: -13.152984 where: bonds (distance) C4'-P energy: -3.645 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -0.102 flat angles P-C4'-P energy: -2.512 tors. eta vs tors. theta energy: -2.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -20.813089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.813089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.813089 (E_RNA) where: Base-Base interactions energy: -3.051 where: short stacking energy: -3.051 Base-Backbone interact. energy: -0.000 local terms energy: -17.762492 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -3.401 flat angles P-C4'-P energy: -3.473 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: 10, replica: 7 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -21.091750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.091750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.091750 (E_RNA) where: Base-Base interactions energy: -3.225 where: short stacking energy: -3.225 Base-Backbone interact. energy: -0.169 local terms energy: -17.698024 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -4.271 flat angles P-C4'-P energy: -3.606 tors. eta vs tors. theta energy: -1.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -25.970915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.970915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.970915 (E_RNA) where: Base-Base interactions energy: -8.234 where: short stacking energy: -8.234 Base-Backbone interact. energy: -0.000 local terms energy: -17.737037 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.320 flat angles P-C4'-P energy: -2.095 tors. eta vs tors. theta energy: -3.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -27.413843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.413843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.413843 (E_RNA) where: Base-Base interactions energy: -8.741 where: short stacking energy: -8.741 Base-Backbone interact. energy: -0.010 local terms energy: -18.662213 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -4.331 flat angles P-C4'-P energy: -3.884 tors. eta vs tors. theta energy: -2.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -26.026752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.026752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.026752 (E_RNA) where: Base-Base interactions energy: -7.609 where: short stacking energy: -7.609 Base-Backbone interact. energy: -0.000 local terms energy: -18.417349 where: bonds (distance) C4'-P energy: -3.869 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.962 flat angles P-C4'-P energy: -3.579 tors. eta vs tors. theta energy: -1.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -24.237686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.237686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.237686 (E_RNA) where: Base-Base interactions energy: -6.976 where: short stacking energy: -6.976 Base-Backbone interact. energy: -0.037 local terms energy: -17.225380 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -3.169 flat angles P-C4'-P energy: -2.750 tors. eta vs tors. theta energy: -2.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -29.222849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.222849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.222849 (E_RNA) where: Base-Base interactions energy: -10.063 where: short stacking energy: -10.063 Base-Backbone interact. energy: -0.000 local terms energy: -19.159775 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.631 flat angles C4'-P-C4' energy: -4.271 flat angles P-C4'-P energy: -2.738 tors. eta vs tors. theta energy: -3.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -23.746093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.746093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.746093 (E_RNA) where: Base-Base interactions energy: -5.265 where: short stacking energy: -5.265 Base-Backbone interact. energy: -0.079 local terms energy: -18.401691 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.311 flat angles C4'-P-C4' energy: -4.544 flat angles P-C4'-P energy: -3.593 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: 7, replica: 2 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -24.186946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.186946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.186946 (E_RNA) where: Base-Base interactions energy: -7.119 where: short stacking energy: -7.119 Base-Backbone interact. energy: -0.000 local terms energy: -17.067570 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -4.336 flat angles C4'-P-C4' energy: -3.436 flat angles P-C4'-P energy: -2.973 tors. eta vs tors. theta energy: -2.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -20.305330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.305330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.305330 (E_RNA) where: Base-Base interactions energy: -5.870 where: short stacking energy: -5.963 Base-Backbone interact. energy: -0.049 local terms energy: -14.385439 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.405 flat angles P-C4'-P energy: -1.836 tors. eta vs tors. theta energy: 1.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -21.063405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.063405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.063405 (E_RNA) where: Base-Base interactions energy: -7.025 where: short stacking energy: -7.366 Base-Backbone interact. energy: -0.000 local terms energy: -14.037610 where: bonds (distance) C4'-P energy: -2.325 bonds (distance) P-C4' energy: -4.392 flat angles C4'-P-C4' energy: -3.781 flat angles P-C4'-P energy: -1.313 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: 10, replica: 3 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -25.122191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.122191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.122191 (E_RNA) where: Base-Base interactions energy: -11.179 where: short stacking energy: -11.179 Base-Backbone interact. energy: -0.000 local terms energy: -13.942955 where: bonds (distance) C4'-P energy: -0.424 bonds (distance) P-C4' energy: -4.417 flat angles C4'-P-C4' energy: -4.727 flat angles P-C4'-P energy: -0.929 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: 5 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -27.229518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.229518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.229518 (E_RNA) where: Base-Base interactions energy: -7.579 where: short stacking energy: -7.579 Base-Backbone interact. energy: -0.000 local terms energy: -19.650752 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.152 flat angles P-C4'-P energy: -3.325 tors. eta vs tors. theta energy: -3.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -25.542815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.542815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.542815 (E_RNA) where: Base-Base interactions energy: -6.728 where: short stacking energy: -6.728 Base-Backbone interact. energy: -0.000 local terms energy: -18.814485 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.534 flat angles P-C4'-P energy: -2.949 tors. eta vs tors. theta energy: -1.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -27.393392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.393392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.393392 (E_RNA) where: Base-Base interactions energy: -12.397 where: short stacking energy: -12.397 Base-Backbone interact. energy: -0.033 local terms energy: -14.962545 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.572 flat angles P-C4'-P energy: -1.979 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: 4, replica: 10 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -24.388661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.388661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.388661 (E_RNA) where: Base-Base interactions energy: -10.593 where: short stacking energy: -10.593 Base-Backbone interact. energy: -0.000 local terms energy: -13.795184 where: bonds (distance) C4'-P energy: -1.509 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -2.775 flat angles P-C4'-P energy: -1.441 tors. eta vs tors. theta energy: -3.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -24.755568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.755568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.755568 (E_RNA) where: Base-Base interactions energy: -8.793 where: short stacking energy: -8.793 Base-Backbone interact. energy: -0.001 local terms energy: -15.961926 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -3.693 flat angles P-C4'-P energy: -1.466 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: 6, replica: 2 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -23.986075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.986075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.986075 (E_RNA) where: Base-Base interactions energy: -8.151 where: short stacking energy: -8.151 Base-Backbone interact. energy: -0.000 local terms energy: -15.835128 where: bonds (distance) C4'-P energy: -3.194 bonds (distance) P-C4' energy: -3.315 flat angles C4'-P-C4' energy: -3.627 flat angles P-C4'-P energy: -2.681 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: 7, replica: 9 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -25.992653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.992653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.992653 (E_RNA) where: Base-Base interactions energy: -8.098 where: short stacking energy: -8.098 Base-Backbone interact. energy: -0.000 local terms energy: -17.894771 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -3.414 flat angles C4'-P-C4' energy: -4.063 flat angles P-C4'-P energy: -2.494 tors. eta vs tors. theta energy: -4.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -24.053078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.053078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.053078 (E_RNA) where: Base-Base interactions energy: -9.285 where: short stacking energy: -9.285 Base-Backbone interact. energy: -0.001 local terms energy: -14.767319 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -3.790 flat angles C4'-P-C4' energy: -4.559 flat angles P-C4'-P energy: -3.164 tors. eta vs tors. theta energy: 0.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -19.819461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.819461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.819461 (E_RNA) where: Base-Base interactions energy: -4.129 where: short stacking energy: -4.129 Base-Backbone interact. energy: -0.002 local terms energy: -15.687932 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.271 flat angles P-C4'-P energy: -2.303 tors. eta vs tors. theta energy: 0.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -19.445569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.445569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.445569 (E_RNA) where: Base-Base interactions energy: -6.363 where: short stacking energy: -6.363 Base-Backbone interact. energy: -0.040 local terms energy: -13.042353 where: bonds (distance) C4'-P energy: -1.339 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -4.266 flat angles P-C4'-P energy: -3.404 tors. eta vs tors. theta energy: 0.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -31.691102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.691102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.691102 (E_RNA) where: Base-Base interactions energy: -12.359 where: short stacking energy: -12.359 Base-Backbone interact. energy: -0.028 local terms energy: -19.303901 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.781 flat angles P-C4'-P energy: -2.729 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: 2, replica: 5 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -27.855042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.855042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.855042 (E_RNA) where: Base-Base interactions energy: -11.569 where: short stacking energy: -11.569 Base-Backbone interact. energy: -0.000 local terms energy: -16.285776 where: bonds (distance) C4'-P energy: -1.144 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.095 flat angles P-C4'-P energy: -2.331 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: 3, replica: 10 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -24.276419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.276419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.276419 (E_RNA) where: Base-Base interactions energy: -7.852 where: short stacking energy: -7.852 Base-Backbone interact. energy: -0.147 local terms energy: -16.277592 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -2.064 flat angles C4'-P-C4' energy: -4.697 flat angles P-C4'-P energy: -3.892 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: 4, replica: 4 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -24.485878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.485878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.485878 (E_RNA) where: Base-Base interactions energy: -3.945 where: short stacking energy: -3.945 Base-Backbone interact. energy: -0.001 local terms energy: -20.539617 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.693 flat angles P-C4'-P energy: -3.770 tors. eta vs tors. theta energy: -2.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -24.104197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.104197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.104197 (E_RNA) where: Base-Base interactions energy: -7.407 where: short stacking energy: -7.407 Base-Backbone interact. energy: -0.000 local terms energy: -16.696830 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.097 flat angles P-C4'-P energy: -3.324 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: 6, replica: 8 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -27.890796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.890796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.890796 (E_RNA) where: Base-Base interactions energy: -9.853 where: short stacking energy: -9.853 Base-Backbone interact. energy: -0.100 local terms energy: -17.937858 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -4.540 flat angles P-C4'-P energy: -3.356 tors. eta vs tors. theta energy: -1.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -23.959238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.959238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.959238 (E_RNA) where: Base-Base interactions energy: -6.712 where: short stacking energy: -6.712 Base-Backbone interact. energy: -0.030 local terms energy: -17.218193 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.915 flat angles P-C4'-P energy: -3.824 tors. eta vs tors. theta energy: -0.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -20.029854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.029854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.029854 (E_RNA) where: Base-Base interactions energy: -4.347 where: short stacking energy: -4.347 Base-Backbone interact. energy: -0.495 local terms energy: -15.187677 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.008 flat angles P-C4'-P energy: -1.056 tors. eta vs tors. theta energy: -1.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -21.443998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.443998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.443998 (E_RNA) where: Base-Base interactions energy: -3.760 where: short stacking energy: -3.760 Base-Backbone interact. energy: -0.000 local terms energy: -17.683269 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -3.958 flat angles P-C4'-P energy: -3.574 tors. eta vs tors. theta energy: -0.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -22.045360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.045360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.045360 (E_RNA) where: Base-Base interactions energy: -7.094 where: short stacking energy: -7.094 Base-Backbone interact. energy: -0.025 local terms energy: -14.926605 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -2.839 flat angles P-C4'-P energy: -2.744 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: 1, replica: 1 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -25.743700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.743700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.743700 (E_RNA) where: Base-Base interactions energy: -8.282 where: short stacking energy: -8.282 Base-Backbone interact. energy: 0.058 local terms energy: -17.520182 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.678 flat angles C4'-P-C4' energy: -4.379 flat angles P-C4'-P energy: -3.009 tors. eta vs tors. theta energy: -1.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -28.129061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.129061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.129061 (E_RNA) where: Base-Base interactions energy: -9.381 where: short stacking energy: -9.381 Base-Backbone interact. energy: -0.015 local terms energy: -18.732574 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.118 flat angles P-C4'-P energy: -2.936 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: 3, replica: 5 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -24.114139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.114139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.114139 (E_RNA) where: Base-Base interactions energy: -4.509 where: short stacking energy: -4.509 Base-Backbone interact. energy: -0.000 local terms energy: -19.605484 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.152 flat angles P-C4'-P energy: -3.786 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: 2 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -25.343650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.343650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.343650 (E_RNA) where: Base-Base interactions energy: -6.674 where: short stacking energy: -6.674 Base-Backbone interact. energy: -0.000 local terms energy: -18.669294 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.034 flat angles P-C4'-P energy: -3.532 tors. eta vs tors. theta energy: -2.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -22.272063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.272063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.272063 (E_RNA) where: Base-Base interactions energy: -3.929 where: short stacking energy: -3.929 Base-Backbone interact. energy: -0.000 local terms energy: -18.342766 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.360 flat angles P-C4'-P energy: -2.344 tors. eta vs tors. theta energy: -2.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -23.903995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.903995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.903995 (E_RNA) where: Base-Base interactions energy: -6.624 where: short stacking energy: -6.624 Base-Backbone interact. energy: -0.003 local terms energy: -17.277091 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -3.984 flat angles C4'-P-C4' energy: -4.256 flat angles P-C4'-P energy: -3.226 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: 8 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -25.171764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.171764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.171764 (E_RNA) where: Base-Base interactions energy: -8.765 where: short stacking energy: -8.765 Base-Backbone interact. energy: -0.000 local terms energy: -16.405977 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.773 flat angles P-C4'-P energy: -2.912 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: 3 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -24.606960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.606960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.606960 (E_RNA) where: Base-Base interactions energy: -7.945 where: short stacking energy: -7.945 Base-Backbone interact. energy: -0.000 local terms energy: -16.661594 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.877 flat angles P-C4'-P energy: -1.730 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: 9, replica: 7 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -26.882347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.882347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.882347 (E_RNA) where: Base-Base interactions energy: -7.985 where: short stacking energy: -7.985 Base-Backbone interact. energy: -0.001 local terms energy: -18.896186 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.432 flat angles P-C4'-P energy: -3.260 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: 10, replica: 6 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -22.342411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.342411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.342411 (E_RNA) where: Base-Base interactions energy: -6.422 where: short stacking energy: -6.422 Base-Backbone interact. energy: -0.001 local terms energy: -15.918645 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -3.039 flat angles C4'-P-C4' energy: -3.214 flat angles P-C4'-P energy: -2.802 tors. eta vs tors. theta energy: -2.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -28.219727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.219727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.219727 (E_RNA) where: Base-Base interactions energy: -11.546 where: short stacking energy: -11.546 Base-Backbone interact. energy: -0.022 local terms energy: -16.652345 where: bonds (distance) C4'-P energy: -2.900 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.449 flat angles P-C4'-P energy: -3.340 tors. eta vs tors. theta energy: -0.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -22.817664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.817664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.817664 (E_RNA) where: Base-Base interactions energy: -6.679 where: short stacking energy: -6.679 Base-Backbone interact. energy: -0.002 local terms energy: -16.135917 where: bonds (distance) C4'-P energy: -3.301 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.829 flat angles P-C4'-P energy: -1.137 tors. eta vs tors. theta energy: -2.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -32.116673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.116673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.116673 (E_RNA) where: Base-Base interactions energy: -11.496 where: short stacking energy: -11.496 Base-Backbone interact. energy: -0.000 local terms energy: -20.620979 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.183 flat angles P-C4'-P energy: -3.207 tors. eta vs tors. theta energy: -4.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -24.798955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.798955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.798955 (E_RNA) where: Base-Base interactions energy: -6.950 where: short stacking energy: -6.950 Base-Backbone interact. energy: -0.001 local terms energy: -17.847287 where: bonds (distance) C4'-P energy: -2.920 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.483 flat angles P-C4'-P energy: -3.453 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: 4 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -26.078661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.078661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.078661 (E_RNA) where: Base-Base interactions energy: -9.677 where: short stacking energy: -9.677 Base-Backbone interact. energy: -0.001 local terms energy: -16.400477 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.555 flat angles P-C4'-P energy: -1.653 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: 9 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -26.292423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.292423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.292423 (E_RNA) where: Base-Base interactions energy: -9.106 where: short stacking energy: -9.106 Base-Backbone interact. energy: -0.001 local terms energy: -17.185462 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -3.201 flat angles P-C4'-P energy: -2.076 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: 7, replica: 3 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -19.952583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.952583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.952583 (E_RNA) where: Base-Base interactions energy: -4.692 where: short stacking energy: -4.692 Base-Backbone interact. energy: -0.000 local terms energy: -15.260272 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -2.850 flat angles P-C4'-P energy: -3.376 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: 8 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -22.474270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.474270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.474270 (E_RNA) where: Base-Base interactions energy: -7.857 where: short stacking energy: -7.857 Base-Backbone interact. energy: -0.000 local terms energy: -14.616875 where: bonds (distance) C4'-P energy: -1.960 bonds (distance) P-C4' energy: -3.360 flat angles C4'-P-C4' energy: -3.595 flat angles P-C4'-P energy: -2.351 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: 9, replica: 6 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -20.447423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.447423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.447423 (E_RNA) where: Base-Base interactions energy: -2.778 where: short stacking energy: -2.778 Base-Backbone interact. energy: -0.007 local terms energy: -17.661872 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.677 flat angles P-C4'-P energy: -3.674 tors. eta vs tors. theta energy: -1.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -19.367027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.367027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.367027 (E_RNA) where: Base-Base interactions energy: -4.194 where: short stacking energy: -4.194 Base-Backbone interact. energy: -0.002 local terms energy: -15.171199 where: bonds (distance) C4'-P energy: -3.161 bonds (distance) P-C4' energy: -4.392 flat angles C4'-P-C4' energy: -3.340 flat angles P-C4'-P energy: -3.710 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: 1, replica: 1 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -28.704640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.704640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.704640 (E_RNA) where: Base-Base interactions energy: -10.323 where: short stacking energy: -10.323 Base-Backbone interact. energy: -0.000 local terms energy: -18.382007 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -4.572 flat angles C4'-P-C4' energy: -4.023 flat angles P-C4'-P energy: -3.022 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: 2 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -28.677977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.677977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.677977 (E_RNA) where: Base-Base interactions energy: -11.590 where: short stacking energy: -11.590 Base-Backbone interact. energy: -0.000 local terms energy: -17.088449 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -2.582 flat angles P-C4'-P energy: -1.704 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: 3, replica: 10 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -25.817997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.817997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.817997 (E_RNA) where: Base-Base interactions energy: -6.274 where: short stacking energy: -6.274 Base-Backbone interact. energy: -0.000 local terms energy: -19.544258 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -3.402 flat angles P-C4'-P energy: -3.702 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: 4, replica: 4 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -24.169326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.169326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.169326 (E_RNA) where: Base-Base interactions energy: -8.525 where: short stacking energy: -8.725 Base-Backbone interact. energy: -0.001 local terms energy: -15.644131 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -3.490 flat angles C4'-P-C4' energy: -4.398 flat angles P-C4'-P energy: -3.199 tors. eta vs tors. theta energy: -0.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -23.912877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.912877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.912877 (E_RNA) where: Base-Base interactions energy: -6.565 where: short stacking energy: -6.565 Base-Backbone interact. energy: -0.029 local terms energy: -17.318978 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.433 flat angles P-C4'-P energy: -3.417 tors. eta vs tors. theta energy: -0.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -23.232424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.232424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.232424 (E_RNA) where: Base-Base interactions energy: -5.057 where: short stacking energy: -5.057 Base-Backbone interact. energy: -0.000 local terms energy: -18.175004 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.791 flat angles P-C4'-P energy: -2.923 tors. eta vs tors. theta energy: -2.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -27.263894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.263894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.263894 (E_RNA) where: Base-Base interactions energy: -11.757 where: short stacking energy: -11.757 Base-Backbone interact. energy: -0.007 local terms energy: -15.499942 where: bonds (distance) C4'-P energy: -3.654 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -0.409 flat angles P-C4'-P energy: -3.265 tors. eta vs tors. theta energy: -2.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -21.385214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.385214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.385214 (E_RNA) where: Base-Base interactions energy: -7.562 where: short stacking energy: -7.562 Base-Backbone interact. energy: -0.001 local terms energy: -13.822138 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.051 flat angles C4'-P-C4' energy: -2.421 flat angles P-C4'-P energy: -2.930 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: 9, replica: 8 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -24.086472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.086472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.086472 (E_RNA) where: Base-Base interactions energy: -6.815 where: short stacking energy: -6.815 Base-Backbone interact. energy: -0.000 local terms energy: -17.271960 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.156 flat angles C4'-P-C4' energy: -3.679 flat angles P-C4'-P energy: -1.624 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: 10, replica: 7 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -20.708905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.708905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.708905 (E_RNA) where: Base-Base interactions energy: -7.433 where: short stacking energy: -7.433 Base-Backbone interact. energy: -0.073 local terms energy: -13.203007 where: bonds (distance) C4'-P energy: -2.006 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.355 flat angles P-C4'-P energy: -2.894 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: 2 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -31.762062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.762062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.762062 (E_RNA) where: Base-Base interactions energy: -11.122 where: short stacking energy: -11.122 Base-Backbone interact. energy: -0.000 local terms energy: -20.639718 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.104 flat angles P-C4'-P energy: -3.167 tors. eta vs tors. theta energy: -4.407 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: 2, replica: 1 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -27.977240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.977240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.977240 (E_RNA) where: Base-Base interactions energy: -9.634 where: short stacking energy: -9.634 Base-Backbone interact. energy: -0.000 local terms energy: -18.343149 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -4.118 flat angles P-C4'-P energy: -1.960 tors. eta vs tors. theta energy: -3.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -24.796779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.796779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.796779 (E_RNA) where: Base-Base interactions energy: -5.197 where: short stacking energy: -5.197 Base-Backbone interact. energy: -0.000 local terms energy: -19.599712 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.767 flat angles P-C4'-P energy: -3.108 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: 4, replica: 4 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -30.081473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.081473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.081473 (E_RNA) where: Base-Base interactions energy: -10.947 where: short stacking energy: -10.947 Base-Backbone interact. energy: -0.001 local terms energy: -19.134229 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -3.865 flat angles P-C4'-P energy: -2.210 tors. eta vs tors. theta energy: -4.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -22.355569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.355569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.355569 (E_RNA) where: Base-Base interactions energy: -6.982 where: short stacking energy: -7.046 Base-Backbone interact. energy: -0.000 local terms energy: -15.373651 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.180 flat angles P-C4'-P energy: -3.071 tors. eta vs tors. theta energy: -0.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -25.063797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.063797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.063797 (E_RNA) where: Base-Base interactions energy: -6.714 where: short stacking energy: -6.714 Base-Backbone interact. energy: -0.000 local terms energy: -18.349593 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -3.913 flat angles P-C4'-P energy: -2.720 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: 7, replica: 6 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -23.476651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.476651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.476651 (E_RNA) where: Base-Base interactions energy: -8.744 where: short stacking energy: -8.744 Base-Backbone interact. energy: -0.002 local terms energy: -14.730940 where: bonds (distance) C4'-P energy: -3.194 bonds (distance) P-C4' energy: -2.753 flat angles C4'-P-C4' energy: -3.621 flat angles P-C4'-P energy: -2.103 tors. eta vs tors. theta energy: -3.060 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: 9 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -23.374883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.374883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.374883 (E_RNA) where: Base-Base interactions energy: -6.893 where: short stacking energy: -6.893 Base-Backbone interact. energy: -0.000 local terms energy: -16.481489 where: bonds (distance) C4'-P energy: -3.277 bonds (distance) P-C4' energy: -3.751 flat angles C4'-P-C4' energy: -4.345 flat angles P-C4'-P energy: -3.403 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: 9, replica: 7 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -19.427419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.427419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.427419 (E_RNA) where: Base-Base interactions energy: -4.342 where: short stacking energy: -4.424 Base-Backbone interact. energy: -0.010 local terms energy: -15.074898 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -4.241 flat angles P-C4'-P energy: -3.350 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: 10, replica: 8 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -19.016602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.016602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.016602 (E_RNA) where: Base-Base interactions energy: -3.486 where: short stacking energy: -3.486 Base-Backbone interact. energy: -0.037 local terms energy: -15.493551 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.982 flat angles P-C4'-P energy: -3.222 tors. eta vs tors. theta energy: 0.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -28.174811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.174811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.174811 (E_RNA) where: Base-Base interactions energy: -9.951 where: short stacking energy: -9.951 Base-Backbone interact. energy: -0.000 local terms energy: -18.224130 where: bonds (distance) C4'-P energy: -3.169 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.239 flat angles P-C4'-P energy: -2.904 tors. eta vs tors. theta energy: -3.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -29.595253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.595253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.595253 (E_RNA) where: Base-Base interactions energy: -11.168 where: short stacking energy: -11.168 Base-Backbone interact. energy: -0.000 local terms energy: -18.427269 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.578 flat angles C4'-P-C4' energy: -3.059 flat angles P-C4'-P energy: -2.619 tors. eta vs tors. theta energy: -3.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -25.681852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.681852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.681852 (E_RNA) where: Base-Base interactions energy: -7.937 where: short stacking energy: -7.937 Base-Backbone interact. energy: -0.000 local terms energy: -17.744507 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -1.762 flat angles C4'-P-C4' energy: -3.995 flat angles P-C4'-P energy: -3.624 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: 4, replica: 3 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -29.160166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.160166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.160166 (E_RNA) where: Base-Base interactions energy: -10.216 where: short stacking energy: -10.216 Base-Backbone interact. energy: -0.000 local terms energy: -18.944293 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -2.890 flat angles P-C4'-P energy: -3.254 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: 4 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -21.858141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.858141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.858141 (E_RNA) where: Base-Base interactions energy: -7.531 where: short stacking energy: -7.531 Base-Backbone interact. energy: -0.000 local terms energy: -14.327238 where: bonds (distance) C4'-P energy: 0.936 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -4.349 flat angles P-C4'-P energy: -2.851 tors. eta vs tors. theta energy: -2.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -23.300719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.300719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.300719 (E_RNA) where: Base-Base interactions energy: -6.973 where: short stacking energy: -6.973 Base-Backbone interact. energy: -0.000 local terms energy: -16.327688 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -3.071 flat angles C4'-P-C4' energy: -4.066 flat angles P-C4'-P energy: -3.626 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: 7, replica: 5 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -26.217968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.217968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.217968 (E_RNA) where: Base-Base interactions energy: -7.526 where: short stacking energy: -7.526 Base-Backbone interact. energy: -0.000 local terms energy: -18.692335 where: bonds (distance) C4'-P energy: -2.696 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.443 flat angles P-C4'-P energy: -2.680 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: 8, replica: 7 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -20.546742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.546742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.546742 (E_RNA) where: Base-Base interactions energy: -4.170 where: short stacking energy: -4.170 Base-Backbone interact. energy: -0.045 local terms energy: -16.331263 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -2.900 flat angles P-C4'-P energy: -2.732 tors. eta vs tors. theta energy: -1.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -22.311421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.311421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.311421 (E_RNA) where: Base-Base interactions energy: -7.171 where: short stacking energy: -7.171 Base-Backbone interact. energy: -0.100 local terms energy: -15.040502 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.133 flat angles P-C4'-P energy: -1.246 tors. eta vs tors. theta energy: -0.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -20.102744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.102744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.102744 (E_RNA) where: Base-Base interactions energy: -7.592 where: short stacking energy: -7.592 Base-Backbone interact. energy: -0.001 local terms energy: -12.510303 where: bonds (distance) C4'-P energy: -2.606 bonds (distance) P-C4' energy: -3.364 flat angles C4'-P-C4' energy: -3.355 flat angles P-C4'-P energy: -2.713 tors. eta vs tors. theta energy: -0.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -26.115855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.115855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.115855 (E_RNA) where: Base-Base interactions energy: -8.370 where: short stacking energy: -8.370 Base-Backbone interact. energy: -0.000 local terms energy: -17.745990 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -4.438 flat angles P-C4'-P energy: -2.562 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: 2, replica: 2 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -24.446005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.446005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.446005 (E_RNA) where: Base-Base interactions energy: -6.194 where: short stacking energy: -6.194 Base-Backbone interact. energy: -0.001 local terms energy: -18.250979 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.727 flat angles P-C4'-P energy: -3.721 tors. eta vs tors. theta energy: -1.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -27.182197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.182197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.182197 (E_RNA) where: Base-Base interactions energy: -11.131 where: short stacking energy: -11.131 Base-Backbone interact. energy: -0.002 local terms energy: -16.049250 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -3.631 flat angles C4'-P-C4' energy: -4.246 flat angles P-C4'-P energy: -3.368 tors. eta vs tors. theta energy: -0.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -22.848357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.848357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.848357 (E_RNA) where: Base-Base interactions energy: -6.781 where: short stacking energy: -6.781 Base-Backbone interact. energy: -0.012 local terms energy: -16.055004 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.323 flat angles P-C4'-P energy: -1.887 tors. eta vs tors. theta energy: -0.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -21.270110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.270110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.270110 (E_RNA) where: Base-Base interactions energy: -6.257 where: short stacking energy: -6.257 Base-Backbone interact. energy: -0.000 local terms energy: -15.013037 where: bonds (distance) C4'-P energy: -4.643 bonds (distance) P-C4' energy: -4.343 flat angles C4'-P-C4' energy: -3.448 flat angles P-C4'-P energy: -2.416 tors. eta vs tors. theta energy: -0.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -23.655059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.655059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.655059 (E_RNA) where: Base-Base interactions energy: -6.741 where: short stacking energy: -6.741 Base-Backbone interact. energy: -0.000 local terms energy: -16.913611 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -3.951 flat angles P-C4'-P energy: -2.573 tors. eta vs tors. theta energy: -1.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -22.361404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.361404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.361404 (E_RNA) where: Base-Base interactions energy: -7.776 where: short stacking energy: -7.776 Base-Backbone interact. energy: -0.000 local terms energy: -14.585622 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -3.733 flat angles C4'-P-C4' energy: -3.694 flat angles P-C4'-P energy: -3.395 tors. eta vs tors. theta energy: -0.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -21.880034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.880034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.880034 (E_RNA) where: Base-Base interactions energy: -6.174 where: short stacking energy: -6.174 Base-Backbone interact. energy: -0.015 local terms energy: -15.690656 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -3.367 flat angles C4'-P-C4' energy: -3.468 flat angles P-C4'-P energy: -3.640 tors. eta vs tors. theta energy: -0.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -24.202479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.202479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.202479 (E_RNA) where: Base-Base interactions energy: -7.118 where: short stacking energy: -7.118 Base-Backbone interact. energy: -0.000 local terms energy: -17.084334 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.180 flat angles C4'-P-C4' energy: -3.107 flat angles P-C4'-P energy: -3.313 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: 9 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -19.814481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.814481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.814481 (E_RNA) where: Base-Base interactions energy: -4.606 where: short stacking energy: -4.606 Base-Backbone interact. energy: -0.000 local terms energy: -15.208858 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -3.423 flat angles C4'-P-C4' energy: -2.880 flat angles P-C4'-P energy: -1.783 tors. eta vs tors. theta energy: -3.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -29.674418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.674418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.674418 (E_RNA) where: Base-Base interactions energy: -9.638 where: short stacking energy: -9.638 Base-Backbone interact. energy: -0.000 local terms energy: -20.036326 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -4.420 flat angles C4'-P-C4' energy: -3.810 flat angles P-C4'-P energy: -3.469 tors. eta vs tors. theta energy: -4.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -31.466473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.466473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.466473 (E_RNA) where: Base-Base interactions energy: -12.470 where: short stacking energy: -12.470 Base-Backbone interact. energy: -0.016 local terms energy: -18.980248 where: bonds (distance) C4'-P energy: -3.939 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.561 flat angles P-C4'-P energy: -2.699 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: 3, replica: 2 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -24.004003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.004003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.004003 (E_RNA) where: Base-Base interactions energy: -4.286 where: short stacking energy: -4.286 Base-Backbone interact. energy: -0.099 local terms energy: -19.619359 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.207 flat angles P-C4'-P energy: -3.445 tors. eta vs tors. theta energy: -2.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -29.429107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.429107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.429107 (E_RNA) where: Base-Base interactions energy: -7.535 where: short stacking energy: -7.535 Base-Backbone interact. energy: -0.000 local terms energy: -21.894093 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.296 flat angles P-C4'-P energy: -3.729 tors. eta vs tors. theta energy: -4.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -25.287676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.287676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.287676 (E_RNA) where: Base-Base interactions energy: -8.097 where: short stacking energy: -8.097 Base-Backbone interact. energy: -0.010 local terms energy: -17.180697 where: bonds (distance) C4'-P energy: -2.812 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.554 flat angles P-C4'-P energy: -3.751 tors. eta vs tors. theta energy: -1.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -24.836052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.836052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.836052 (E_RNA) where: Base-Base interactions energy: -9.065 where: short stacking energy: -9.065 Base-Backbone interact. energy: -0.010 local terms energy: -15.760691 where: bonds (distance) C4'-P energy: -3.202 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.653 flat angles P-C4'-P energy: -2.654 tors. eta vs tors. theta energy: -1.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -27.012695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.012695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.012695 (E_RNA) where: Base-Base interactions energy: -9.829 where: short stacking energy: -9.829 Base-Backbone interact. energy: -0.000 local terms energy: -17.183230 where: bonds (distance) C4'-P energy: -3.393 bonds (distance) P-C4' energy: -2.486 flat angles C4'-P-C4' energy: -3.796 flat angles P-C4'-P energy: -3.995 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: 8 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -19.968446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.968446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.968446 (E_RNA) where: Base-Base interactions energy: -4.964 where: short stacking energy: -4.964 Base-Backbone interact. energy: -0.037 local terms energy: -14.966820 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.938 flat angles P-C4'-P energy: -2.228 tors. eta vs tors. theta energy: -0.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -24.845006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.845006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.845006 (E_RNA) where: Base-Base interactions energy: -6.797 where: short stacking energy: -6.797 Base-Backbone interact. energy: -0.000 local terms energy: -18.047647 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.625 flat angles P-C4'-P energy: -1.809 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: 10, replica: 9 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -20.253075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.253075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.253075 (E_RNA) where: Base-Base interactions energy: -2.776 where: short stacking energy: -2.776 Base-Backbone interact. energy: -0.004 local terms energy: -17.473675 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.309 flat angles P-C4'-P energy: -3.432 tors. eta vs tors. theta energy: -0.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -27.858418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.858418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.858418 (E_RNA) where: Base-Base interactions energy: -7.167 where: short stacking energy: -7.167 Base-Backbone interact. energy: -0.000 local terms energy: -20.691788 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -3.840 flat angles P-C4'-P energy: -3.285 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: 2, replica: 10 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -26.153325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.153325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.153325 (E_RNA) where: Base-Base interactions energy: -8.147 where: short stacking energy: -8.147 Base-Backbone interact. energy: -0.001 local terms energy: -18.006145 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.750 flat angles P-C4'-P energy: -2.950 tors. eta vs tors. theta energy: -1.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -26.752685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.752685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.752685 (E_RNA) where: Base-Base interactions energy: -7.723 where: short stacking energy: -7.723 Base-Backbone interact. energy: -0.000 local terms energy: -19.029167 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -4.521 flat angles P-C4'-P energy: -3.188 tors. eta vs tors. theta energy: -1.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -23.228694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.228694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.228694 (E_RNA) where: Base-Base interactions energy: -7.684 where: short stacking energy: -7.684 Base-Backbone interact. energy: -0.003 local terms energy: -15.542058 where: bonds (distance) C4'-P energy: -2.299 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.907 flat angles P-C4'-P energy: -2.190 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: 5, replica: 7 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -27.620079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.620079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.620079 (E_RNA) where: Base-Base interactions energy: -11.783 where: short stacking energy: -11.783 Base-Backbone interact. energy: -0.000 local terms energy: -15.836978 where: bonds (distance) C4'-P energy: -2.928 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -2.383 flat angles P-C4'-P energy: -3.479 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: 6, replica: 1 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -21.247978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.247978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.247978 (E_RNA) where: Base-Base interactions energy: -3.935 where: short stacking energy: -3.935 Base-Backbone interact. energy: -0.806 local terms energy: -16.506868 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.589 flat angles P-C4'-P energy: -2.731 tors. eta vs tors. theta energy: 0.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -22.115654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.115654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.115654 (E_RNA) where: Base-Base interactions energy: -6.204 where: short stacking energy: -6.204 Base-Backbone interact. energy: -0.058 local terms energy: -15.852835 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -3.748 flat angles C4'-P-C4' energy: -4.731 flat angles P-C4'-P energy: -2.457 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: 8, replica: 8 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -25.073658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.073658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.073658 (E_RNA) where: Base-Base interactions energy: -6.785 where: short stacking energy: -6.785 Base-Backbone interact. energy: -0.000 local terms energy: -18.289103 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.429 flat angles P-C4'-P energy: -3.284 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: 9, replica: 9 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -20.869008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.869008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.869008 (E_RNA) where: Base-Base interactions energy: -3.939 where: short stacking energy: -3.939 Base-Backbone interact. energy: -0.002 local terms energy: -16.928613 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.289 flat angles P-C4'-P energy: -2.218 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: 10, replica: 5 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -23.971608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.971608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.971608 (E_RNA) where: Base-Base interactions energy: -6.161 where: short stacking energy: -6.161 Base-Backbone interact. energy: -0.000 local terms energy: -17.810731 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -4.398 flat angles P-C4'-P energy: -0.876 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: 1, replica: 3 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -24.411843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.411843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.411843 (E_RNA) where: Base-Base interactions energy: -6.684 where: short stacking energy: -6.684 Base-Backbone interact. energy: -0.438 local terms energy: -17.290023 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -4.111 flat angles P-C4'-P energy: -2.669 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: 2, replica: 6 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -23.027073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.027073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.027073 (E_RNA) where: Base-Base interactions energy: -7.429 where: short stacking energy: -7.429 Base-Backbone interact. energy: -0.000 local terms energy: -15.597935 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.437 flat angles P-C4'-P energy: -2.974 tors. eta vs tors. theta energy: -0.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -20.007384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.007384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.007384 (E_RNA) where: Base-Base interactions energy: -6.873 where: short stacking energy: -6.873 Base-Backbone interact. energy: -0.071 local terms energy: -13.063744 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -1.637 flat angles P-C4'-P energy: -3.043 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: 4, replica: 7 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -25.468892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.468892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.468892 (E_RNA) where: Base-Base interactions energy: -7.562 where: short stacking energy: -7.562 Base-Backbone interact. energy: -0.009 local terms energy: -17.898519 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.078 flat angles P-C4'-P energy: -1.346 tors. eta vs tors. theta energy: -2.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -24.144446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.144446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.144446 (E_RNA) where: Base-Base interactions energy: -7.722 where: short stacking energy: -7.722 Base-Backbone interact. energy: -0.000 local terms energy: -16.422245 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.373 flat angles P-C4'-P energy: -2.272 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: 6, replica: 4 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -22.347845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.347845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.347845 (E_RNA) where: Base-Base interactions energy: -9.701 where: short stacking energy: -9.701 Base-Backbone interact. energy: -0.004 local terms energy: -12.643101 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.179 flat angles P-C4'-P energy: -2.337 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: 7, replica: 1 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -23.162784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.162784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.162784 (E_RNA) where: Base-Base interactions energy: -5.493 where: short stacking energy: -5.493 Base-Backbone interact. energy: -0.000 local terms energy: -17.669805 where: bonds (distance) C4'-P energy: -3.152 bonds (distance) P-C4' energy: -4.342 flat angles C4'-P-C4' energy: -4.517 flat angles P-C4'-P energy: -3.481 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: 8, replica: 9 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -23.376718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.376718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.376718 (E_RNA) where: Base-Base interactions energy: -7.451 where: short stacking energy: -7.451 Base-Backbone interact. energy: -0.017 local terms energy: -15.907992 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -3.636 flat angles P-C4'-P energy: -2.498 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: 9, replica: 8 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -24.054780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.054780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.054780 (E_RNA) where: Base-Base interactions energy: -3.458 where: short stacking energy: -3.458 Base-Backbone interact. energy: -0.000 local terms energy: -20.596887 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.628 flat angles P-C4'-P energy: -2.646 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: 10, replica: 5 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -20.394416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.394416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.394416 (E_RNA) where: Base-Base interactions energy: -6.430 where: short stacking energy: -6.430 Base-Backbone interact. energy: -0.001 local terms energy: -13.964142 where: bonds (distance) C4'-P energy: -1.501 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.995 flat angles P-C4'-P energy: -3.474 tors. eta vs tors. theta energy: 0.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -28.324223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.324223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.324223 (E_RNA) where: Base-Base interactions energy: -10.352 where: short stacking energy: -10.352 Base-Backbone interact. energy: -0.000 local terms energy: -17.972157 where: bonds (distance) C4'-P energy: -3.645 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.150 flat angles P-C4'-P energy: -3.721 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: 2, replica: 3 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -23.942453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.942453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.942453 (E_RNA) where: Base-Base interactions energy: -9.889 where: short stacking energy: -9.889 Base-Backbone interact. energy: -0.002 local terms energy: -14.051542 where: bonds (distance) C4'-P energy: -1.533 bonds (distance) P-C4' energy: -3.786 flat angles C4'-P-C4' energy: -4.082 flat angles P-C4'-P energy: -2.584 tors. eta vs tors. theta energy: -2.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -23.122537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.122537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.122537 (E_RNA) where: Base-Base interactions energy: -9.078 where: short stacking energy: -9.078 Base-Backbone interact. energy: -0.055 local terms energy: -13.989908 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -2.148 flat angles P-C4'-P energy: -1.641 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: 4, replica: 10 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -27.730043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.730043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.730043 (E_RNA) where: Base-Base interactions energy: -9.102 where: short stacking energy: -9.102 Base-Backbone interact. energy: -0.000 local terms energy: -18.627773 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.189 flat angles P-C4'-P energy: -1.030 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: 5, replica: 4 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -20.988837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.988837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.988837 (E_RNA) where: Base-Base interactions energy: -5.655 where: short stacking energy: -5.655 Base-Backbone interact. energy: -0.000 local terms energy: -15.333311 where: bonds (distance) C4'-P energy: -1.774 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.402 flat angles P-C4'-P energy: -2.562 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: 2 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -27.165390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.165390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.165390 (E_RNA) where: Base-Base interactions energy: -9.046 where: short stacking energy: -9.046 Base-Backbone interact. energy: -0.001 local terms energy: -18.118937 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.606 flat angles P-C4'-P energy: -3.899 tors. eta vs tors. theta energy: -0.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -23.023743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.023743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.023743 (E_RNA) where: Base-Base interactions energy: -5.770 where: short stacking energy: -5.770 Base-Backbone interact. energy: -0.000 local terms energy: -17.253941 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -1.358 flat angles P-C4'-P energy: -3.624 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: 8, replica: 1 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -21.876213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.876213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.876213 (E_RNA) where: Base-Base interactions energy: -6.131 where: short stacking energy: -6.131 Base-Backbone interact. energy: -0.000 local terms energy: -15.745325 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -3.730 flat angles C4'-P-C4' energy: -3.779 flat angles P-C4'-P energy: -3.641 tors. eta vs tors. theta energy: -0.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -21.582553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.582553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.582553 (E_RNA) where: Base-Base interactions energy: -8.362 where: short stacking energy: -8.362 Base-Backbone interact. energy: -0.000 local terms energy: -13.220195 where: bonds (distance) C4'-P energy: -2.759 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -0.969 flat angles P-C4'-P energy: -2.844 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: 10, replica: 8 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -23.083643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.083643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.083643 (E_RNA) where: Base-Base interactions energy: -7.048 where: short stacking energy: -7.048 Base-Backbone interact. energy: -0.000 local terms energy: -16.035292 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -3.226 flat angles P-C4'-P energy: -1.703 tors. eta vs tors. theta energy: -2.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -27.821668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.821668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.821668 (E_RNA) where: Base-Base interactions energy: -11.419 where: short stacking energy: -11.419 Base-Backbone interact. energy: -0.001 local terms energy: -16.401758 where: bonds (distance) C4'-P energy: -3.277 bonds (distance) P-C4' energy: -4.343 flat angles C4'-P-C4' energy: -3.130 flat angles P-C4'-P energy: -3.199 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: 2, replica: 7 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -30.494759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.494759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.494759 (E_RNA) where: Base-Base interactions energy: -11.101 where: short stacking energy: -11.101 Base-Backbone interact. energy: -0.079 local terms energy: -19.315579 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -4.038 flat angles P-C4'-P energy: -2.722 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: 3, replica: 3 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -26.598614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.598614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.598614 (E_RNA) where: Base-Base interactions energy: -7.174 where: short stacking energy: -7.174 Base-Backbone interact. energy: -0.000 local terms energy: -19.424665 where: bonds (distance) C4'-P energy: -3.264 bonds (distance) P-C4' energy: -3.557 flat angles C4'-P-C4' energy: -4.610 flat angles P-C4'-P energy: -3.484 tors. eta vs tors. theta energy: -4.510 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: 4 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -25.736528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.736528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.736528 (E_RNA) where: Base-Base interactions energy: -8.045 where: short stacking energy: -8.045 Base-Backbone interact. energy: -0.000 local terms energy: -17.691809 where: bonds (distance) C4'-P energy: -4.427 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -2.040 flat angles P-C4'-P energy: -2.811 tors. eta vs tors. theta energy: -3.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -22.822991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.822991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.822991 (E_RNA) where: Base-Base interactions energy: -7.556 where: short stacking energy: -7.556 Base-Backbone interact. energy: -0.002 local terms energy: -15.264630 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.635 flat angles P-C4'-P energy: -3.173 tors. eta vs tors. theta energy: 0.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -21.592007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.592007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.592007 (E_RNA) where: Base-Base interactions energy: -4.744 where: short stacking energy: -4.826 Base-Backbone interact. energy: -0.100 local terms energy: -16.747389 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.135 flat angles P-C4'-P energy: -3.023 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: 7, replica: 2 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -23.438006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.438006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.438006 (E_RNA) where: Base-Base interactions energy: -6.854 where: short stacking energy: -6.854 Base-Backbone interact. energy: -0.016 local terms energy: -16.567972 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.780 flat angles P-C4'-P energy: -3.171 tors. eta vs tors. theta energy: -0.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -23.688947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.688947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.688947 (E_RNA) where: Base-Base interactions energy: -6.814 where: short stacking energy: -6.814 Base-Backbone interact. energy: -0.018 local terms energy: -16.857506 where: bonds (distance) C4'-P energy: -4.427 bonds (distance) P-C4' energy: -3.128 flat angles C4'-P-C4' energy: -3.564 flat angles P-C4'-P energy: -3.241 tors. eta vs tors. theta energy: -2.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -22.645658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.645658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.645658 (E_RNA) where: Base-Base interactions energy: -7.127 where: short stacking energy: -7.127 Base-Backbone interact. energy: -0.000 local terms energy: -15.518426 where: bonds (distance) C4'-P energy: -4.233 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -1.296 flat angles P-C4'-P energy: -1.890 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: 10, replica: 8 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -21.257340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.257340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.257340 (E_RNA) where: Base-Base interactions energy: -3.409 where: short stacking energy: -3.907 Base-Backbone interact. energy: -1.091 local terms energy: -16.757303 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.441 flat angles C4'-P-C4' energy: -3.805 flat angles P-C4'-P energy: -2.591 tors. eta vs tors. theta energy: -1.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -24.557342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.557342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.557342 (E_RNA) where: Base-Base interactions energy: -4.829 where: short stacking energy: -4.829 Base-Backbone interact. energy: -0.094 local terms energy: -19.634652 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.829 flat angles P-C4'-P energy: -3.498 tors. eta vs tors. theta energy: -2.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -24.552477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.552477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.552477 (E_RNA) where: Base-Base interactions energy: -9.595 where: short stacking energy: -9.595 Base-Backbone interact. energy: -0.002 local terms energy: -14.955820 where: bonds (distance) C4'-P energy: -1.935 bonds (distance) P-C4' energy: -3.815 flat angles C4'-P-C4' energy: -3.102 flat angles P-C4'-P energy: -3.157 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: 3, replica: 4 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -27.061412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.061412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.061412 (E_RNA) where: Base-Base interactions energy: -8.162 where: short stacking energy: -8.162 Base-Backbone interact. energy: -0.100 local terms energy: -18.800132 where: bonds (distance) C4'-P energy: -4.341 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.239 flat angles P-C4'-P energy: -2.901 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: 4, replica: 3 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -24.227518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.227518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.227518 (E_RNA) where: Base-Base interactions energy: -6.620 where: short stacking energy: -6.620 Base-Backbone interact. energy: -0.044 local terms energy: -17.563078 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.470 flat angles P-C4'-P energy: -3.785 tors. eta vs tors. theta energy: -0.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -24.283397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.283397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.283397 (E_RNA) where: Base-Base interactions energy: -5.938 where: short stacking energy: -5.938 Base-Backbone interact. energy: -0.000 local terms energy: -18.345597 where: bonds (distance) C4'-P energy: -4.270 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.606 flat angles P-C4'-P energy: -1.678 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: 6, replica: 10 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -22.560149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.560149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.560149 (E_RNA) where: Base-Base interactions energy: -4.350 where: short stacking energy: -4.350 Base-Backbone interact. energy: -0.000 local terms energy: -18.210259 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -4.288 flat angles P-C4'-P energy: -2.583 tors. eta vs tors. theta energy: -1.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -23.062551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.062551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.062551 (E_RNA) where: Base-Base interactions energy: -6.071 where: short stacking energy: -6.071 Base-Backbone interact. energy: -0.010 local terms energy: -16.982036 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.241 flat angles P-C4'-P energy: -3.709 tors. eta vs tors. theta energy: -0.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -22.866115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.866115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.866115 (E_RNA) where: Base-Base interactions energy: -8.444 where: short stacking energy: -8.444 Base-Backbone interact. energy: -0.069 local terms energy: -14.352938 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.051 flat angles C4'-P-C4' energy: -3.531 flat angles P-C4'-P energy: -1.008 tors. eta vs tors. theta energy: -1.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -20.855398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.855398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.855398 (E_RNA) where: Base-Base interactions energy: -7.095 where: short stacking energy: -7.095 Base-Backbone interact. energy: -0.007 local terms energy: -13.753029 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -2.404 flat angles P-C4'-P energy: -2.270 tors. eta vs tors. theta energy: 0.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -21.286831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.286831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.286831 (E_RNA) where: Base-Base interactions energy: -7.562 where: short stacking energy: -7.562 Base-Backbone interact. energy: -0.000 local terms energy: -13.724427 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -1.068 flat angles P-C4'-P energy: -3.344 tors. eta vs tors. theta energy: -0.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -26.167814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.167814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.167814 (E_RNA) where: Base-Base interactions energy: -8.990 where: short stacking energy: -8.990 Base-Backbone interact. energy: -0.000 local terms energy: -17.177654 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -4.383 flat angles P-C4'-P energy: -1.226 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: 2, replica: 4 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -25.292366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.292366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.292366 (E_RNA) where: Base-Base interactions energy: -7.416 where: short stacking energy: -7.416 Base-Backbone interact. energy: -0.908 local terms energy: -16.968349 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.428 flat angles P-C4'-P energy: -3.134 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: 3, replica: 7 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -29.358167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.358167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.358167 (E_RNA) where: Base-Base interactions energy: -11.148 where: short stacking energy: -11.148 Base-Backbone interact. energy: -0.000 local terms energy: -18.210572 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.364 flat angles P-C4'-P energy: -1.569 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: 4, replica: 9 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -24.469137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.469137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.469137 (E_RNA) where: Base-Base interactions energy: -6.967 where: short stacking energy: -6.967 Base-Backbone interact. energy: -1.052 local terms energy: -16.449608 where: bonds (distance) C4'-P energy: -2.900 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.395 flat angles P-C4'-P energy: -3.434 tors. eta vs tors. theta energy: -1.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -23.603949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.603949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.603949 (E_RNA) where: Base-Base interactions energy: -8.926 where: short stacking energy: -8.926 Base-Backbone interact. energy: -0.000 local terms energy: -14.678318 where: bonds (distance) C4'-P energy: -2.175 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.393 flat angles P-C4'-P energy: -3.318 tors. eta vs tors. theta energy: -0.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -24.454026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.454026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.454026 (E_RNA) where: Base-Base interactions energy: -6.664 where: short stacking energy: -6.664 Base-Backbone interact. energy: -0.000 local terms energy: -17.789718 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.829 flat angles P-C4'-P energy: -2.480 tors. eta vs tors. theta energy: -1.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -24.926814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.926814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.926814 (E_RNA) where: Base-Base interactions energy: -7.843 where: short stacking energy: -7.843 Base-Backbone interact. energy: -0.000 local terms energy: -17.084131 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.239 flat angles P-C4'-P energy: -2.927 tors. eta vs tors. theta energy: -1.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -24.554620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.554620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.554620 (E_RNA) where: Base-Base interactions energy: -8.060 where: short stacking energy: -8.060 Base-Backbone interact. energy: -0.000 local terms energy: -16.494498 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -0.971 flat angles P-C4'-P energy: -2.455 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: 9, replica: 2 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -20.081201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.081201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.081201 (E_RNA) where: Base-Base interactions energy: -3.233 where: short stacking energy: -3.233 Base-Backbone interact. energy: -0.002 local terms energy: -16.846516 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.083 flat angles P-C4'-P energy: -2.894 tors. eta vs tors. theta energy: -0.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -19.180248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.180248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.180248 (E_RNA) where: Base-Base interactions energy: -6.386 where: short stacking energy: -6.386 Base-Backbone interact. energy: -0.004 local terms energy: -12.790670 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -3.321 flat angles C4'-P-C4' energy: -2.107 flat angles P-C4'-P energy: -2.612 tors. eta vs tors. theta energy: -1.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -24.438336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.438336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.438336 (E_RNA) where: Base-Base interactions energy: -9.120 where: short stacking energy: -9.120 Base-Backbone interact. energy: -0.029 local terms energy: -15.289671 where: bonds (distance) C4'-P energy: -4.063 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -4.148 flat angles P-C4'-P energy: -2.824 tors. eta vs tors. theta energy: 0.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -26.046770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.046770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.046770 (E_RNA) where: Base-Base interactions energy: -5.853 where: short stacking energy: -6.453 Base-Backbone interact. energy: -1.838 local terms energy: -18.355834 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.540 flat angles P-C4'-P energy: -3.739 tors. eta vs tors. theta energy: -1.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -21.379709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.379709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.379709 (E_RNA) where: Base-Base interactions energy: -7.421 where: short stacking energy: -7.421 Base-Backbone interact. energy: -0.104 local terms energy: -13.854511 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.051 flat angles C4'-P-C4' energy: -3.998 flat angles P-C4'-P energy: -1.962 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: 4, replica: 7 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -25.339894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.339894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.339894 (E_RNA) where: Base-Base interactions energy: -6.528 where: short stacking energy: -6.831 Base-Backbone interact. energy: -0.000 local terms energy: -18.811408 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -2.978 flat angles P-C4'-P energy: -3.522 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: 5, replica: 5 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -24.927907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.927907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.927907 (E_RNA) where: Base-Base interactions energy: -6.992 where: short stacking energy: -6.992 Base-Backbone interact. energy: -0.000 local terms energy: -17.935597 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -4.344 flat angles P-C4'-P energy: -3.132 tors. eta vs tors. theta energy: -1.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -27.444908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.444908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.444908 (E_RNA) where: Base-Base interactions energy: -10.525 where: short stacking energy: -10.525 Base-Backbone interact. energy: -0.000 local terms energy: -16.919448 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -2.241 flat angles P-C4'-P energy: -3.928 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: 7, replica: 8 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -23.565578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.565578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.565578 (E_RNA) where: Base-Base interactions energy: -7.566 where: short stacking energy: -7.566 Base-Backbone interact. energy: -0.000 local terms energy: -15.999783 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -4.084 flat angles P-C4'-P energy: -2.129 tors. eta vs tors. theta energy: -1.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -21.122565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.122565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.122565 (E_RNA) where: Base-Base interactions energy: -7.708 where: short stacking energy: -7.708 Base-Backbone interact. energy: -0.000 local terms energy: -13.414529 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -4.103 flat angles C4'-P-C4' energy: -3.186 flat angles P-C4'-P energy: -1.225 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: 1 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -22.308581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.308581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.308581 (E_RNA) where: Base-Base interactions energy: -3.722 where: short stacking energy: -3.722 Base-Backbone interact. energy: -0.000 local terms energy: -18.586911 where: bonds (distance) C4'-P energy: -3.024 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.946 flat angles P-C4'-P energy: -3.372 tors. eta vs tors. theta energy: -3.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -25.054035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.054035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.054035 (E_RNA) where: Base-Base interactions energy: -8.865 where: short stacking energy: -8.865 Base-Backbone interact. energy: -0.081 local terms energy: -16.108521 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.890 flat angles P-C4'-P energy: -2.091 tors. eta vs tors. theta energy: -1.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -26.039477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.039477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.039477 (E_RNA) where: Base-Base interactions energy: -6.627 where: short stacking energy: -6.627 Base-Backbone interact. energy: -0.007 local terms energy: -19.405278 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -2.600 flat angles P-C4'-P energy: -3.355 tors. eta vs tors. theta energy: -3.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -25.649674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.649674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.649674 (E_RNA) where: Base-Base interactions energy: -9.170 where: short stacking energy: -9.170 Base-Backbone interact. energy: -0.011 local terms energy: -16.468338 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.103 flat angles C4'-P-C4' energy: -4.572 flat angles P-C4'-P energy: -2.560 tors. eta vs tors. theta energy: -0.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -23.993361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.993361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.993361 (E_RNA) where: Base-Base interactions energy: -7.550 where: short stacking energy: -7.550 Base-Backbone interact. energy: -0.000 local terms energy: -16.442999 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -3.677 flat angles P-C4'-P energy: -3.710 tors. eta vs tors. theta energy: -0.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -24.762648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.762648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.762648 (E_RNA) where: Base-Base interactions energy: -7.650 where: short stacking energy: -7.650 Base-Backbone interact. energy: -0.050 local terms energy: -17.062597 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -3.949 flat angles P-C4'-P energy: -2.455 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: 5, replica: 7 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -27.483546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.483546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.483546 (E_RNA) where: Base-Base interactions energy: -10.869 where: short stacking energy: -10.869 Base-Backbone interact. energy: -0.001 local terms energy: -16.613554 where: bonds (distance) C4'-P energy: -3.708 bonds (distance) P-C4' energy: -4.152 flat angles C4'-P-C4' energy: -2.947 flat angles P-C4'-P energy: -3.901 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: 8 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -27.513015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.513015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.513015 (E_RNA) where: Base-Base interactions energy: -9.623 where: short stacking energy: -9.623 Base-Backbone interact. energy: -0.000 local terms energy: -17.889737 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.888 flat angles P-C4'-P energy: -3.270 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: 7, replica: 3 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -23.185502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.185502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.185502 (E_RNA) where: Base-Base interactions energy: -8.336 where: short stacking energy: -8.336 Base-Backbone interact. energy: -0.001 local terms energy: -14.849130 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -1.307 flat angles P-C4'-P energy: -3.758 tors. eta vs tors. theta energy: -1.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -19.194339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.194339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.194339 (E_RNA) where: Base-Base interactions energy: -2.513 where: short stacking energy: -2.513 Base-Backbone interact. energy: -0.047 local terms energy: -16.633594 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -2.594 flat angles P-C4'-P energy: -3.592 tors. eta vs tors. theta energy: -0.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -23.559435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.559435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.559435 (E_RNA) where: Base-Base interactions energy: -7.305 where: short stacking energy: -7.305 Base-Backbone interact. energy: -0.000 local terms energy: -16.254915 where: bonds (distance) C4'-P energy: -1.861 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -3.851 flat angles P-C4'-P energy: -3.558 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: 10, replica: 2 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -21.556028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.556028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.556028 (E_RNA) where: Base-Base interactions energy: -7.127 where: short stacking energy: -7.127 Base-Backbone interact. energy: -0.000 local terms energy: -14.429139 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -2.343 flat angles P-C4'-P energy: -0.540 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: 4 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -26.412043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.412043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.412043 (E_RNA) where: Base-Base interactions energy: -8.585 where: short stacking energy: -8.585 Base-Backbone interact. energy: -0.050 local terms energy: -17.776552 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.994 flat angles P-C4'-P energy: -3.299 tors. eta vs tors. theta energy: -1.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -24.211175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.211175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.211175 (E_RNA) where: Base-Base interactions energy: -6.702 where: short stacking energy: -6.702 Base-Backbone interact. energy: -0.305 local terms energy: -17.203984 where: bonds (distance) C4'-P energy: -3.799 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.887 flat angles P-C4'-P energy: -3.060 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: 3, replica: 5 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -23.804518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.804518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.804518 (E_RNA) where: Base-Base interactions energy: -4.958 where: short stacking energy: -4.958 Base-Backbone interact. energy: -0.000 local terms energy: -18.846444 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.012 flat angles P-C4'-P energy: -2.776 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: 4, replica: 9 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -22.592731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.592731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.592731 (E_RNA) where: Base-Base interactions energy: -6.129 where: short stacking energy: -6.129 Base-Backbone interact. energy: -0.001 local terms energy: -16.463426 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.629 flat angles P-C4'-P energy: -1.972 tors. eta vs tors. theta energy: -1.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -24.059450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.059450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.059450 (E_RNA) where: Base-Base interactions energy: -7.360 where: short stacking energy: -7.360 Base-Backbone interact. energy: -0.035 local terms energy: -16.664851 where: bonds (distance) C4'-P energy: -3.673 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -4.214 flat angles P-C4'-P energy: -3.185 tors. eta vs tors. theta energy: -0.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -24.812029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.812029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.812029 (E_RNA) where: Base-Base interactions energy: -7.127 where: short stacking energy: -7.127 Base-Backbone interact. energy: -0.000 local terms energy: -17.685073 where: bonds (distance) C4'-P energy: -3.161 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -2.795 flat angles P-C4'-P energy: -3.352 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: 3 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -22.148731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.148731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.148731 (E_RNA) where: Base-Base interactions energy: -3.919 where: short stacking energy: -3.919 Base-Backbone interact. energy: -0.000 local terms energy: -18.229832 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -4.083 flat angles P-C4'-P energy: -3.702 tors. eta vs tors. theta energy: -1.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -20.555909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.555909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.555909 (E_RNA) where: Base-Base interactions energy: -3.502 where: short stacking energy: -3.502 Base-Backbone interact. energy: -2.261 local terms energy: -14.792818 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.379 flat angles P-C4'-P energy: -2.653 tors. eta vs tors. theta energy: 1.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -20.164205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.164205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.164205 (E_RNA) where: Base-Base interactions energy: -5.425 where: short stacking energy: -5.601 Base-Backbone interact. energy: -0.007 local terms energy: -14.731943 where: bonds (distance) C4'-P energy: -2.875 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.202 flat angles P-C4'-P energy: -2.127 tors. eta vs tors. theta energy: -0.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -21.700886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.700886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.700886 (E_RNA) where: Base-Base interactions energy: -4.405 where: short stacking energy: -4.405 Base-Backbone interact. energy: -0.000 local terms energy: -17.296280 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.093 flat angles P-C4'-P energy: -1.593 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: 1, replica: 4 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -32.350828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.350828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.350828 (E_RNA) where: Base-Base interactions energy: -11.006 where: short stacking energy: -11.006 Base-Backbone interact. energy: -0.000 local terms energy: -21.345017 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.536 flat angles P-C4'-P energy: -3.776 tors. eta vs tors. theta energy: -4.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -25.537762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.537762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.537762 (E_RNA) where: Base-Base interactions energy: -7.081 where: short stacking energy: -7.081 Base-Backbone interact. energy: -0.000 local terms energy: -18.457195 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -3.996 flat angles P-C4'-P energy: -2.189 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: 6 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -23.577729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.577729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.577729 (E_RNA) where: Base-Base interactions energy: -7.150 where: short stacking energy: -7.150 Base-Backbone interact. energy: -0.000 local terms energy: -16.427611 where: bonds (distance) C4'-P energy: -3.152 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.767 flat angles P-C4'-P energy: -2.478 tors. eta vs tors. theta energy: -0.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -21.726193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.726193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.726193 (E_RNA) where: Base-Base interactions energy: -2.738 where: short stacking energy: -2.738 Base-Backbone interact. energy: -0.000 local terms energy: -18.988158 where: bonds (distance) C4'-P energy: -4.750 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.904 flat angles P-C4'-P energy: -3.143 tors. eta vs tors. theta energy: -2.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -28.319110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.319110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.319110 (E_RNA) where: Base-Base interactions energy: -11.759 where: short stacking energy: -11.759 Base-Backbone interact. energy: -0.000 local terms energy: -16.559744 where: bonds (distance) C4'-P energy: -3.450 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.958 flat angles P-C4'-P energy: -3.482 tors. eta vs tors. theta energy: -0.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -25.631245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.631245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.631245 (E_RNA) where: Base-Base interactions energy: -4.857 where: short stacking energy: -4.857 Base-Backbone interact. energy: -0.000 local terms energy: -20.774191 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.150 flat angles P-C4'-P energy: -4.025 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: 7, replica: 7 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -24.260204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.260204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.260204 (E_RNA) where: Base-Base interactions energy: -7.654 where: short stacking energy: -7.654 Base-Backbone interact. energy: -0.001 local terms energy: -16.605381 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -4.345 flat angles C4'-P-C4' energy: -4.118 flat angles P-C4'-P energy: -2.121 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: 8, replica: 2 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -25.932160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.932160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.932160 (E_RNA) where: Base-Base interactions energy: -6.541 where: short stacking energy: -6.541 Base-Backbone interact. energy: -0.021 local terms energy: -19.369350 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.693 flat angles P-C4'-P energy: -3.586 tors. eta vs tors. theta energy: -1.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -21.807661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.807661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.807661 (E_RNA) where: Base-Base interactions energy: -5.656 where: short stacking energy: -5.656 Base-Backbone interact. energy: -0.000 local terms energy: -16.151730 where: bonds (distance) C4'-P energy: -2.121 bonds (distance) P-C4' energy: -4.078 flat angles C4'-P-C4' energy: -4.379 flat angles P-C4'-P energy: -2.232 tors. eta vs tors. theta energy: -3.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -20.631554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.631554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.631554 (E_RNA) where: Base-Base interactions energy: -6.224 where: short stacking energy: -6.224 Base-Backbone interact. energy: -0.001 local terms energy: -14.406231 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.252 flat angles P-C4'-P energy: -1.893 tors. eta vs tors. theta energy: 0.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -27.286076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.286076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.286076 (E_RNA) where: Base-Base interactions energy: -7.593 where: short stacking energy: -7.593 Base-Backbone interact. energy: -0.000 local terms energy: -19.692594 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.712 flat angles P-C4'-P energy: -2.801 tors. eta vs tors. theta energy: -2.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -23.808552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.808552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.808552 (E_RNA) where: Base-Base interactions energy: -7.806 where: short stacking energy: -7.806 Base-Backbone interact. energy: -0.000 local terms energy: -16.002338 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -4.545 flat angles P-C4'-P energy: -3.289 tors. eta vs tors. theta energy: 1.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -26.402589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.402589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.402589 (E_RNA) where: Base-Base interactions energy: -9.315 where: short stacking energy: -9.315 Base-Backbone interact. energy: -0.100 local terms energy: -16.987491 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.842 flat angles C4'-P-C4' energy: -4.590 flat angles P-C4'-P energy: -1.201 tors. eta vs tors. theta energy: -1.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -24.459221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.459221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.459221 (E_RNA) where: Base-Base interactions energy: -7.427 where: short stacking energy: -7.427 Base-Backbone interact. energy: -0.007 local terms energy: -17.025374 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -4.534 flat angles P-C4'-P energy: -2.671 tors. eta vs tors. theta energy: -0.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -24.443829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.443829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.443829 (E_RNA) where: Base-Base interactions energy: -9.989 where: short stacking energy: -9.989 Base-Backbone interact. energy: -0.020 local terms energy: -14.435044 where: bonds (distance) C4'-P energy: -0.929 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -4.436 flat angles P-C4'-P energy: -3.325 tors. eta vs tors. theta energy: -0.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -23.290636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.290636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.290636 (E_RNA) where: Base-Base interactions energy: -6.819 where: short stacking energy: -6.819 Base-Backbone interact. energy: -0.000 local terms energy: -16.471649 where: bonds (distance) C4'-P energy: -3.194 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.801 flat angles P-C4'-P energy: -1.181 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: 7, replica: 2 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -22.729206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.729206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.729206 (E_RNA) where: Base-Base interactions energy: -5.314 where: short stacking energy: -5.314 Base-Backbone interact. energy: -0.025 local terms energy: -17.390284 where: bonds (distance) C4'-P energy: -3.016 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -4.255 flat angles P-C4'-P energy: -3.051 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: 8, replica: 7 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -20.665672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.665672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.665672 (E_RNA) where: Base-Base interactions energy: -6.289 where: short stacking energy: -6.289 Base-Backbone interact. energy: 0.238 local terms energy: -14.615448 where: bonds (distance) C4'-P energy: -2.672 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.119 flat angles P-C4'-P energy: -2.635 tors. eta vs tors. theta energy: -1.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -22.389417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.389417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.389417 (E_RNA) where: Base-Base interactions energy: -7.120 where: short stacking energy: -7.120 Base-Backbone interact. energy: -0.005 local terms energy: -15.264742 where: bonds (distance) C4'-P energy: -2.812 bonds (distance) P-C4' energy: -4.314 flat angles C4'-P-C4' energy: -4.078 flat angles P-C4'-P energy: -3.843 tors. eta vs tors. theta energy: -0.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -24.550750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.550750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.550750 (E_RNA) where: Base-Base interactions energy: -6.320 where: short stacking energy: -6.320 Base-Backbone interact. energy: -0.000 local terms energy: -18.230513 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.506 flat angles P-C4'-P energy: -3.721 tors. eta vs tors. theta energy: -0.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -31.409617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.409617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.409617 (E_RNA) where: Base-Base interactions energy: -10.963 where: short stacking energy: -10.963 Base-Backbone interact. energy: -0.000 local terms energy: -20.446704 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.721 flat angles P-C4'-P energy: -2.313 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: 2, replica: 8 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -28.303146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.303146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.303146 (E_RNA) where: Base-Base interactions energy: -11.287 where: short stacking energy: -11.287 Base-Backbone interact. energy: -0.000 local terms energy: -17.015180 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.638 flat angles P-C4'-P energy: -3.816 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: 3, replica: 4 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -23.175259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.175259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.175259 (E_RNA) where: Base-Base interactions energy: -6.604 where: short stacking energy: -6.604 Base-Backbone interact. energy: -0.000 local terms energy: -16.571513 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -3.966 flat angles C4'-P-C4' energy: -4.525 flat angles P-C4'-P energy: -3.161 tors. eta vs tors. theta energy: -0.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -22.478208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.478208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.478208 (E_RNA) where: Base-Base interactions energy: -4.072 where: short stacking energy: -5.065 Base-Backbone interact. energy: -0.077 local terms energy: -18.328588 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.459 flat angles P-C4'-P energy: -2.867 tors. eta vs tors. theta energy: -2.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -25.601850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.601850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.601850 (E_RNA) where: Base-Base interactions energy: -7.510 where: short stacking energy: -7.510 Base-Backbone interact. energy: -0.000 local terms energy: -18.091447 where: bonds (distance) C4'-P energy: -4.448 bonds (distance) P-C4' energy: -3.874 flat angles C4'-P-C4' energy: -4.678 flat angles P-C4'-P energy: -3.024 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: 6, replica: 2 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -22.276752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.276752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.276752 (E_RNA) where: Base-Base interactions energy: -7.417 where: short stacking energy: -7.417 Base-Backbone interact. energy: -0.000 local terms energy: -14.859962 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -3.039 flat angles C4'-P-C4' energy: -2.042 flat angles P-C4'-P energy: -3.507 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: 7, replica: 9 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -23.542088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.542088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.542088 (E_RNA) where: Base-Base interactions energy: -6.190 where: short stacking energy: -6.190 Base-Backbone interact. energy: -0.000 local terms energy: -17.351857 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -3.817 flat angles P-C4'-P energy: -3.371 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: 8, replica: 1 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -22.970058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.970058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.970058 (E_RNA) where: Base-Base interactions energy: -7.993 where: short stacking energy: -7.993 Base-Backbone interact. energy: -0.097 local terms energy: -14.880196 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -3.302 flat angles P-C4'-P energy: -0.533 tors. eta vs tors. theta energy: -2.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -18.674156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.674156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.674156 (E_RNA) where: Base-Base interactions energy: -6.127 where: short stacking energy: -6.127 Base-Backbone interact. energy: -0.000 local terms energy: -12.547205 where: bonds (distance) C4'-P energy: -3.194 bonds (distance) P-C4' energy: -2.025 flat angles C4'-P-C4' energy: -2.781 flat angles P-C4'-P energy: -2.124 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: 10, replica: 10 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -25.572019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.572019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.572019 (E_RNA) where: Base-Base interactions energy: -7.695 where: short stacking energy: -7.695 Base-Backbone interact. energy: -0.000 local terms energy: -17.876934 where: bonds (distance) C4'-P energy: -3.522 bonds (distance) P-C4' energy: -3.551 flat angles C4'-P-C4' energy: -3.955 flat angles P-C4'-P energy: -2.127 tors. eta vs tors. theta energy: -4.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -30.959890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.959890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.959890 (E_RNA) where: Base-Base interactions energy: -11.244 where: short stacking energy: -11.244 Base-Backbone interact. energy: -0.000 local terms energy: -19.715407 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.924 flat angles P-C4'-P energy: -1.720 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: 2, replica: 8 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -30.336617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.336617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.336617 (E_RNA) where: Base-Base interactions energy: -9.896 where: short stacking energy: -9.896 Base-Backbone interact. energy: -0.000 local terms energy: -20.440184 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.471 flat angles P-C4'-P energy: -3.087 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: 42 Temperature: 1.000000 Total energy: -30.256471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.256471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.256471 (E_RNA) where: Base-Base interactions energy: -11.203 where: short stacking energy: -11.203 Base-Backbone interact. energy: -0.000 local terms energy: -19.053748 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.111 flat angles P-C4'-P energy: -3.708 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: 4, replica: 4 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -29.387566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.387566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.387566 (E_RNA) where: Base-Base interactions energy: -11.020 where: short stacking energy: -11.020 Base-Backbone interact. energy: -0.042 local terms energy: -18.325236 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.195 flat angles P-C4'-P energy: -3.122 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: 2 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -24.991744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.991744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.991744 (E_RNA) where: Base-Base interactions energy: -7.548 where: short stacking energy: -7.548 Base-Backbone interact. energy: -0.000 local terms energy: -17.443577 where: bonds (distance) C4'-P energy: -2.573 bonds (distance) P-C4' energy: -4.581 flat angles C4'-P-C4' energy: -3.781 flat angles P-C4'-P energy: -3.709 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: 6, replica: 6 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -22.408191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.408191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.408191 (E_RNA) where: Base-Base interactions energy: -6.915 where: short stacking energy: -6.915 Base-Backbone interact. energy: -0.004 local terms energy: -15.488867 where: bonds (distance) C4'-P energy: -3.161 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -2.799 flat angles P-C4'-P energy: -2.768 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: 7, replica: 1 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -22.934652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.934652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.934652 (E_RNA) where: Base-Base interactions energy: -8.127 where: short stacking energy: -8.127 Base-Backbone interact. energy: -0.000 local terms energy: -14.807964 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.935 flat angles P-C4'-P energy: -0.223 tors. eta vs tors. theta energy: -2.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -23.032856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.032856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.032856 (E_RNA) where: Base-Base interactions energy: -7.632 where: short stacking energy: -7.632 Base-Backbone interact. energy: -0.108 local terms energy: -15.293504 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -3.656 flat angles C4'-P-C4' energy: -3.966 flat angles P-C4'-P energy: -3.075 tors. eta vs tors. theta energy: -0.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -18.618723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.618723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.618723 (E_RNA) where: Base-Base interactions energy: -4.377 where: short stacking energy: -4.377 Base-Backbone interact. energy: -0.012 local terms energy: -14.229152 where: bonds (distance) C4'-P energy: -3.380 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.328 flat angles P-C4'-P energy: -1.565 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: 10, replica: 7 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -22.823174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.823174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.823174 (E_RNA) where: Base-Base interactions energy: -7.235 where: short stacking energy: -7.235 Base-Backbone interact. energy: -0.000 local terms energy: -15.588142 where: bonds (distance) C4'-P energy: -2.689 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -2.963 flat angles P-C4'-P energy: -1.611 tors. eta vs tors. theta energy: -3.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -23.873410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.873410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.873410 (E_RNA) where: Base-Base interactions energy: -4.541 where: short stacking energy: -4.629 Base-Backbone interact. energy: -0.000 local terms energy: -19.332326 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.782 flat angles P-C4'-P energy: -2.454 tors. eta vs tors. theta energy: -3.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -29.027738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.027738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.027738 (E_RNA) where: Base-Base interactions energy: -11.765 where: short stacking energy: -11.765 Base-Backbone interact. energy: -0.001 local terms energy: -17.261208 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -3.864 flat angles P-C4'-P energy: -1.117 tors. eta vs tors. theta energy: -3.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -23.738384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.738384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.738384 (E_RNA) where: Base-Base interactions energy: -4.623 where: short stacking energy: -4.623 Base-Backbone interact. energy: -0.536 local terms energy: -18.579327 where: bonds (distance) C4'-P energy: -3.567 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.364 flat angles P-C4'-P energy: -3.716 tors. eta vs tors. theta energy: -2.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -27.932275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.932275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.932275 (E_RNA) where: Base-Base interactions energy: -8.339 where: short stacking energy: -8.339 Base-Backbone interact. energy: -0.002 local terms energy: -19.591247 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.417 flat angles P-C4'-P energy: -3.492 tors. eta vs tors. theta energy: -2.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -23.865087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.865087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.865087 (E_RNA) where: Base-Base interactions energy: -8.023 where: short stacking energy: -8.023 Base-Backbone interact. energy: -0.000 local terms energy: -15.842576 where: bonds (distance) C4'-P energy: -1.492 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -4.207 flat angles P-C4'-P energy: -1.368 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: 6, replica: 1 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -23.087123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.087123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.087123 (E_RNA) where: Base-Base interactions energy: -6.519 where: short stacking energy: -6.519 Base-Backbone interact. energy: -0.000 local terms energy: -16.567931 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -2.913 flat angles P-C4'-P energy: -2.492 tors. eta vs tors. theta energy: -2.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -24.287737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.287737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.287737 (E_RNA) where: Base-Base interactions energy: -7.443 where: short stacking energy: -7.443 Base-Backbone interact. energy: -0.088 local terms energy: -16.756381 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.245 flat angles P-C4'-P energy: -2.887 tors. eta vs tors. theta energy: -0.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -24.441476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.441476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.441476 (E_RNA) where: Base-Base interactions energy: -4.355 where: short stacking energy: -4.355 Base-Backbone interact. energy: -0.001 local terms energy: -20.086234 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.118 flat angles P-C4'-P energy: -3.631 tors. eta vs tors. theta energy: -3.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -22.771307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.771307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.771307 (E_RNA) where: Base-Base interactions energy: -7.207 where: short stacking energy: -7.207 Base-Backbone interact. energy: -0.000 local terms energy: -15.564017 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -3.336 flat angles C4'-P-C4' energy: -4.119 flat angles P-C4'-P energy: -3.688 tors. eta vs tors. theta energy: -0.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -18.114890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.114890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.114890 (E_RNA) where: Base-Base interactions energy: -3.093 where: short stacking energy: -3.093 Base-Backbone interact. energy: -0.034 local terms energy: -14.987408 where: bonds (distance) C4'-P energy: -4.063 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.313 flat angles P-C4'-P energy: -2.065 tors. eta vs tors. theta energy: -0.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -25.740995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.740995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.740995 (E_RNA) where: Base-Base interactions energy: -7.408 where: short stacking energy: -7.707 Base-Backbone interact. energy: -0.001 local terms energy: -18.332074 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.525 flat angles P-C4'-P energy: -1.699 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: 5 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -24.214881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.214881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.214881 (E_RNA) where: Base-Base interactions energy: -7.904 where: short stacking energy: -7.904 Base-Backbone interact. energy: -0.001 local terms energy: -16.309888 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.644 flat angles P-C4'-P energy: -3.452 tors. eta vs tors. theta energy: -0.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -28.950823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.950823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.950823 (E_RNA) where: Base-Base interactions energy: -7.915 where: short stacking energy: -7.915 Base-Backbone interact. energy: -0.000 local terms energy: -21.035764 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.977 flat angles P-C4'-P energy: -3.376 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: 4, replica: 8 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -22.897534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.897534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.897534 (E_RNA) where: Base-Base interactions energy: -4.718 where: short stacking energy: -4.826 Base-Backbone interact. energy: -0.671 local terms energy: -17.508205 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -3.307 flat angles P-C4'-P energy: -1.589 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: 1 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -25.819355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.819355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.819355 (E_RNA) where: Base-Base interactions energy: -8.377 where: short stacking energy: -8.377 Base-Backbone interact. energy: -0.000 local terms energy: -17.441893 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -3.364 flat angles C4'-P-C4' energy: -4.068 flat angles P-C4'-P energy: -1.918 tors. eta vs tors. theta energy: -4.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -27.675591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.675591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.675591 (E_RNA) where: Base-Base interactions energy: -12.176 where: short stacking energy: -12.176 Base-Backbone interact. energy: -0.000 local terms energy: -15.499798 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -2.709 flat angles P-C4'-P energy: -0.341 tors. eta vs tors. theta energy: -3.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -19.889716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.889716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.889716 (E_RNA) where: Base-Base interactions energy: -3.250 where: short stacking energy: -3.250 Base-Backbone interact. energy: -0.035 local terms energy: -16.604520 where: bonds (distance) C4'-P energy: -2.759 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.306 flat angles P-C4'-P energy: -3.354 tors. eta vs tors. theta energy: -0.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -24.966583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.966583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.966583 (E_RNA) where: Base-Base interactions energy: -7.869 where: short stacking energy: -7.869 Base-Backbone interact. energy: 0.952 local terms energy: -18.050174 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.558 flat angles P-C4'-P energy: -2.618 tors. eta vs tors. theta energy: -1.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -22.187328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.187328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.187328 (E_RNA) where: Base-Base interactions energy: -6.718 where: short stacking energy: -6.718 Base-Backbone interact. energy: -0.000 local terms energy: -15.469497 where: bonds (distance) C4'-P energy: -3.185 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.675 flat angles P-C4'-P energy: -2.535 tors. eta vs tors. theta energy: -1.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -21.763398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.763398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.763398 (E_RNA) where: Base-Base interactions energy: -5.200 where: short stacking energy: -5.200 Base-Backbone interact. energy: -0.001 local terms energy: -16.562526 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -2.177 flat angles P-C4'-P energy: -3.488 tors. eta vs tors. theta energy: -2.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -26.490067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.490067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.490067 (E_RNA) where: Base-Base interactions energy: -8.218 where: short stacking energy: -8.218 Base-Backbone interact. energy: -0.000 local terms energy: -18.272319 where: bonds (distance) C4'-P energy: -3.158 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.181 flat angles P-C4'-P energy: -3.484 tors. eta vs tors. theta energy: -3.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -23.615477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.615477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.615477 (E_RNA) where: Base-Base interactions energy: -7.482 where: short stacking energy: -7.482 Base-Backbone interact. energy: -0.047 local terms energy: -16.086620 where: bonds (distance) C4'-P energy: -3.897 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -2.909 flat angles P-C4'-P energy: -2.525 tors. eta vs tors. theta energy: -1.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -28.557273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.557273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.557273 (E_RNA) where: Base-Base interactions energy: -7.112 where: short stacking energy: -7.112 Base-Backbone interact. energy: -0.000 local terms energy: -21.445659 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.750 flat angles P-C4'-P energy: -2.208 tors. eta vs tors. theta energy: -5.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -26.397553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.397553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.397553 (E_RNA) where: Base-Base interactions energy: -8.287 where: short stacking energy: -8.287 Base-Backbone interact. energy: -0.000 local terms energy: -18.110519 where: bonds (distance) C4'-P energy: -3.417 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.386 flat angles P-C4'-P energy: -2.136 tors. eta vs tors. theta energy: -3.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -26.612368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.612368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.612368 (E_RNA) where: Base-Base interactions energy: -7.457 where: short stacking energy: -7.457 Base-Backbone interact. energy: -0.000 local terms energy: -19.154965 where: bonds (distance) C4'-P energy: -3.451 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.525 flat angles P-C4'-P energy: -3.209 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: 6, replica: 10 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -24.217029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.217029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.217029 (E_RNA) where: Base-Base interactions energy: -6.763 where: short stacking energy: -6.763 Base-Backbone interact. energy: -0.000 local terms energy: -17.454118 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.104 flat angles P-C4'-P energy: -1.706 tors. eta vs tors. theta energy: -2.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -26.908595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.908595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.908595 (E_RNA) where: Base-Base interactions energy: -7.194 where: short stacking energy: -7.194 Base-Backbone interact. energy: -0.000 local terms energy: -19.714666 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.246 flat angles P-C4'-P energy: -3.563 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: 8, replica: 7 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -20.372996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.372996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.372996 (E_RNA) where: Base-Base interactions energy: -4.000 where: short stacking energy: -4.000 Base-Backbone interact. energy: -0.052 local terms energy: -16.320917 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.558 flat angles P-C4'-P energy: -3.089 tors. eta vs tors. theta energy: 0.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -24.922553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.922553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.922553 (E_RNA) where: Base-Base interactions energy: -7.412 where: short stacking energy: -7.412 Base-Backbone interact. energy: -0.000 local terms energy: -17.510392 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.799 flat angles P-C4'-P energy: -3.672 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: 9 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -19.174777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.174777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.174777 (E_RNA) where: Base-Base interactions energy: -3.475 where: short stacking energy: -3.475 Base-Backbone interact. energy: -0.135 local terms energy: -15.564407 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.456 flat angles P-C4'-P energy: -2.186 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: 1, replica: 2 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -31.426003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.426003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.426003 (E_RNA) where: Base-Base interactions energy: -10.817 where: short stacking energy: -10.817 Base-Backbone interact. energy: -0.000 local terms energy: -20.608502 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -4.334 flat angles P-C4'-P energy: -2.995 tors. eta vs tors. theta energy: -5.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -28.915199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.915199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.915199 (E_RNA) where: Base-Base interactions energy: -11.747 where: short stacking energy: -11.747 Base-Backbone interact. energy: -0.063 local terms energy: -17.104891 where: bonds (distance) C4'-P energy: -4.535 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -2.699 flat angles P-C4'-P energy: -1.941 tors. eta vs tors. theta energy: -3.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -24.126879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.126879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.126879 (E_RNA) where: Base-Base interactions energy: -8.019 where: short stacking energy: -8.019 Base-Backbone interact. energy: -0.000 local terms energy: -16.107693 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.342 flat angles P-C4'-P energy: -3.185 tors. eta vs tors. theta energy: -0.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -23.871526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.871526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.871526 (E_RNA) where: Base-Base interactions energy: -7.479 where: short stacking energy: -7.479 Base-Backbone interact. energy: 0.309 local terms energy: -16.701045 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.771 flat angles P-C4'-P energy: -2.354 tors. eta vs tors. theta energy: -0.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -23.990961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.990961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.990961 (E_RNA) where: Base-Base interactions energy: -6.737 where: short stacking energy: -6.737 Base-Backbone interact. energy: -0.000 local terms energy: -17.254284 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -3.786 flat angles C4'-P-C4' energy: -4.716 flat angles P-C4'-P energy: -3.539 tors. eta vs tors. theta energy: -1.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -22.802528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.802528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.802528 (E_RNA) where: Base-Base interactions energy: -5.543 where: short stacking energy: -5.543 Base-Backbone interact. energy: -0.000 local terms energy: -17.259514 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.090 flat angles P-C4'-P energy: -1.976 tors. eta vs tors. theta energy: -2.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -22.995938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.995938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.995938 (E_RNA) where: Base-Base interactions energy: -6.261 where: short stacking energy: -6.261 Base-Backbone interact. energy: -0.000 local terms energy: -16.734990 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -0.152 flat angles P-C4'-P energy: -2.822 tors. eta vs tors. theta energy: -4.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -20.891131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.891131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.891131 (E_RNA) where: Base-Base interactions energy: -3.701 where: short stacking energy: -3.701 Base-Backbone interact. energy: -0.000 local terms energy: -17.190036 where: bonds (distance) C4'-P energy: -3.268 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.202 flat angles P-C4'-P energy: -3.824 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: 9, replica: 6 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -19.769729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.769729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.769729 (E_RNA) where: Base-Base interactions energy: -5.832 where: short stacking energy: -5.832 Base-Backbone interact. energy: -0.000 local terms energy: -13.937250 where: bonds (distance) C4'-P energy: -3.861 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -3.904 flat angles P-C4'-P energy: -1.350 tors. eta vs tors. theta energy: -0.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -20.709402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.709402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.709402 (E_RNA) where: Base-Base interactions energy: -4.085 where: short stacking energy: -4.085 Base-Backbone interact. energy: -0.007 local terms energy: -16.617598 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -3.790 flat angles C4'-P-C4' energy: -3.972 flat angles P-C4'-P energy: -3.559 tors. eta vs tors. theta energy: -1.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -28.501707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.501707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.501707 (E_RNA) where: Base-Base interactions energy: -10.409 where: short stacking energy: -10.409 Base-Backbone interact. energy: -0.002 local terms energy: -18.090952 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.998 flat angles P-C4'-P energy: -3.120 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: 2, replica: 1 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -23.527149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.527149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.527149 (E_RNA) where: Base-Base interactions energy: -8.375 where: short stacking energy: -8.375 Base-Backbone interact. energy: -0.049 local terms energy: -15.103093 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -2.128 flat angles P-C4'-P energy: -2.860 tors. eta vs tors. theta energy: -1.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -25.276430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.276430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.276430 (E_RNA) where: Base-Base interactions energy: -8.003 where: short stacking energy: -8.003 Base-Backbone interact. energy: -1.081 local terms energy: -16.191765 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.725 flat angles P-C4'-P energy: -2.688 tors. eta vs tors. theta energy: -1.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -25.870949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.870949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.870949 (E_RNA) where: Base-Base interactions energy: -8.152 where: short stacking energy: -8.152 Base-Backbone interact. energy: -0.000 local terms energy: -17.718944 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -3.916 flat angles C4'-P-C4' energy: -4.333 flat angles P-C4'-P energy: -1.544 tors. eta vs tors. theta energy: -3.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -23.409898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.409898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.409898 (E_RNA) where: Base-Base interactions energy: -6.158 where: short stacking energy: -6.158 Base-Backbone interact. energy: -0.000 local terms energy: -17.251847 where: bonds (distance) C4'-P energy: -3.977 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.109 flat angles P-C4'-P energy: -3.225 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: 6, replica: 7 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -24.676058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.676058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.676058 (E_RNA) where: Base-Base interactions energy: -6.541 where: short stacking energy: -6.541 Base-Backbone interact. energy: -0.003 local terms energy: -18.132576 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.219 flat angles P-C4'-P energy: -3.525 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: 7, replica: 8 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -22.672656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.672656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.672656 (E_RNA) where: Base-Base interactions energy: -6.338 where: short stacking energy: -6.338 Base-Backbone interact. energy: -0.000 local terms energy: -16.334425 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.679 flat angles P-C4'-P energy: -2.658 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: 6 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -21.501826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.501826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.501826 (E_RNA) where: Base-Base interactions energy: -6.600 where: short stacking energy: -6.695 Base-Backbone interact. energy: -0.080 local terms energy: -14.821425 where: bonds (distance) C4'-P energy: -3.185 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -0.821 flat angles P-C4'-P energy: -3.241 tors. eta vs tors. theta energy: -2.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -22.989736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.989736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.989736 (E_RNA) where: Base-Base interactions energy: -5.384 where: short stacking energy: -5.384 Base-Backbone interact. energy: -0.000 local terms energy: -17.606017 where: bonds (distance) C4'-P energy: -3.947 bonds (distance) P-C4' energy: -4.339 flat angles C4'-P-C4' energy: -3.957 flat angles P-C4'-P energy: -3.522 tors. eta vs tors. theta energy: -1.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -20.143841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.143841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.143841 (E_RNA) where: Base-Base interactions energy: -5.211 where: short stacking energy: -5.211 Base-Backbone interact. energy: -0.987 local terms energy: -13.945354 where: bonds (distance) C4'-P energy: -3.430 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -2.932 flat angles P-C4'-P energy: -2.384 tors. eta vs tors. theta energy: -0.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -28.356622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.356622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.356622 (E_RNA) where: Base-Base interactions energy: -9.420 where: short stacking energy: -9.420 Base-Backbone interact. energy: -0.000 local terms energy: -18.937099 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.586 flat angles P-C4'-P energy: -2.086 tors. eta vs tors. theta energy: -4.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -25.323997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.323997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.323997 (E_RNA) where: Base-Base interactions energy: -6.873 where: short stacking energy: -6.873 Base-Backbone interact. energy: -0.000 local terms energy: -18.450596 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -3.652 flat angles C4'-P-C4' energy: -4.271 flat angles P-C4'-P energy: -3.341 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: 3, replica: 10 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -26.979976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.979976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.979976 (E_RNA) where: Base-Base interactions energy: -8.303 where: short stacking energy: -8.303 Base-Backbone interact. energy: -0.000 local terms energy: -18.676711 where: bonds (distance) C4'-P energy: -2.681 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.060 flat angles P-C4'-P energy: -3.306 tors. eta vs tors. theta energy: -3.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -27.372800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.372800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.372800 (E_RNA) where: Base-Base interactions energy: -7.330 where: short stacking energy: -7.330 Base-Backbone interact. energy: -0.000 local terms energy: -20.042539 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -3.909 flat angles P-C4'-P energy: -3.129 tors. eta vs tors. theta energy: -4.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -22.416991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.416991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.416991 (E_RNA) where: Base-Base interactions energy: -5.562 where: short stacking energy: -5.562 Base-Backbone interact. energy: -0.443 local terms energy: -16.412335 where: bonds (distance) C4'-P energy: -3.861 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.114 flat angles P-C4'-P energy: -2.695 tors. eta vs tors. theta energy: -0.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -24.126244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.126244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.126244 (E_RNA) where: Base-Base interactions energy: -5.295 where: short stacking energy: -5.295 Base-Backbone interact. energy: -0.000 local terms energy: -18.831383 where: bonds (distance) C4'-P energy: -3.318 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.500 flat angles P-C4'-P energy: -1.936 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: 7, replica: 6 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -22.270357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.270357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.270357 (E_RNA) where: Base-Base interactions energy: -6.497 where: short stacking energy: -6.497 Base-Backbone interact. energy: -0.000 local terms energy: -15.772736 where: bonds (distance) C4'-P energy: -2.263 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.032 flat angles P-C4'-P energy: -3.488 tors. eta vs tors. theta energy: -1.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -24.168909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.168909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.168909 (E_RNA) where: Base-Base interactions energy: -8.333 where: short stacking energy: -8.333 Base-Backbone interact. energy: -0.042 local terms energy: -15.794299 where: bonds (distance) C4'-P energy: -3.161 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -1.828 flat angles P-C4'-P energy: -3.051 tors. eta vs tors. theta energy: -3.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -25.380143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.380143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.380143 (E_RNA) where: Base-Base interactions energy: -8.079 where: short stacking energy: -8.079 Base-Backbone interact. energy: -0.000 local terms energy: -17.300558 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -3.269 flat angles P-C4'-P energy: -2.643 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: 4 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -21.769025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.769025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.769025 (E_RNA) where: Base-Base interactions energy: -5.468 where: short stacking energy: -5.468 Base-Backbone interact. energy: -0.000 local terms energy: -16.300457 where: bonds (distance) C4'-P energy: -4.270 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.433 flat angles P-C4'-P energy: -2.852 tors. eta vs tors. theta energy: -0.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -29.153923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.153923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.153923 (E_RNA) where: Base-Base interactions energy: -8.163 where: short stacking energy: -8.163 Base-Backbone interact. energy: -0.002 local terms energy: -20.989474 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.854 flat angles P-C4'-P energy: -3.788 tors. eta vs tors. theta energy: -3.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -27.457811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.457811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.457811 (E_RNA) where: Base-Base interactions energy: -9.813 where: short stacking energy: -9.813 Base-Backbone interact. energy: -0.000 local terms energy: -17.644961 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.542 flat angles P-C4'-P energy: -3.204 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: 2 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -24.694664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.694664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.694664 (E_RNA) where: Base-Base interactions energy: -8.085 where: short stacking energy: -8.085 Base-Backbone interact. energy: -0.001 local terms energy: -16.607809 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -3.690 flat angles P-C4'-P energy: -3.192 tors. eta vs tors. theta energy: -0.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -23.971572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.971572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.971572 (E_RNA) where: Base-Base interactions energy: -7.019 where: short stacking energy: -7.019 Base-Backbone interact. energy: -0.002 local terms energy: -16.950334 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.339 flat angles C4'-P-C4' energy: -4.210 flat angles P-C4'-P energy: -3.479 tors. eta vs tors. theta energy: -0.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -20.194215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.194215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.194215 (E_RNA) where: Base-Base interactions energy: -5.459 where: short stacking energy: -5.459 Base-Backbone interact. energy: -0.103 local terms energy: -14.632219 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -4.305 flat angles P-C4'-P energy: -2.835 tors. eta vs tors. theta energy: 0.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -21.931043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.931043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.931043 (E_RNA) where: Base-Base interactions energy: -7.948 where: short stacking energy: -7.948 Base-Backbone interact. energy: -0.000 local terms energy: -13.983507 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -3.544 flat angles C4'-P-C4' energy: -2.440 flat angles P-C4'-P energy: -3.473 tors. eta vs tors. theta energy: -0.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -21.686026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.686026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.686026 (E_RNA) where: Base-Base interactions energy: -7.541 where: short stacking energy: -7.541 Base-Backbone interact. energy: -0.003 local terms energy: -14.142094 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -3.821 flat angles C4'-P-C4' energy: -4.222 flat angles P-C4'-P energy: -1.330 tors. eta vs tors. theta energy: -0.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -20.856206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.856206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.856206 (E_RNA) where: Base-Base interactions energy: -3.550 where: short stacking energy: -3.550 Base-Backbone interact. energy: -0.013 local terms energy: -17.293436 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.419 flat angles P-C4'-P energy: -2.598 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: 9, replica: 8 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -20.981623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.981623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.981623 (E_RNA) where: Base-Base interactions energy: -4.768 where: short stacking energy: -5.683 Base-Backbone interact. energy: -0.000 local terms energy: -16.213901 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -0.822 flat angles P-C4'-P energy: -3.483 tors. eta vs tors. theta energy: -3.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -22.753689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.753689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.753689 (E_RNA) where: Base-Base interactions energy: -5.885 where: short stacking energy: -5.885 Base-Backbone interact. energy: -0.074 local terms energy: -16.794684 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.271 flat angles P-C4'-P energy: -2.911 tors. eta vs tors. theta energy: -0.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -29.163879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.163879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.163879 (E_RNA) where: Base-Base interactions energy: -10.980 where: short stacking energy: -10.980 Base-Backbone interact. energy: -0.006 local terms energy: -18.177994 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.132 flat angles C4'-P-C4' energy: -2.227 flat angles P-C4'-P energy: -1.898 tors. eta vs tors. theta energy: -4.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -25.009437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.009437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.009437 (E_RNA) where: Base-Base interactions energy: -8.340 where: short stacking energy: -8.340 Base-Backbone interact. energy: -0.000 local terms energy: -16.669765 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -2.935 flat angles P-C4'-P energy: -2.888 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: 3, replica: 7 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -24.932247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.932247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.932247 (E_RNA) where: Base-Base interactions energy: -6.337 where: short stacking energy: -6.337 Base-Backbone interact. energy: -0.000 local terms energy: -18.595288 where: bonds (distance) C4'-P energy: -4.341 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.770 flat angles P-C4'-P energy: -2.678 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: 4, replica: 2 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -27.210570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.210570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.210570 (E_RNA) where: Base-Base interactions energy: -7.076 where: short stacking energy: -7.076 Base-Backbone interact. energy: -0.018 local terms energy: -20.116984 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -4.614 flat angles P-C4'-P energy: -3.998 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: 5, replica: 6 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -24.791530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.791530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.791530 (E_RNA) where: Base-Base interactions energy: -7.050 where: short stacking energy: -7.050 Base-Backbone interact. energy: -0.000 local terms energy: -17.741479 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -2.170 flat angles P-C4'-P energy: -1.278 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: 6, replica: 3 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -27.205109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.205109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.205109 (E_RNA) where: Base-Base interactions energy: -11.118 where: short stacking energy: -11.118 Base-Backbone interact. energy: -0.000 local terms energy: -16.087296 where: bonds (distance) C4'-P energy: -3.044 bonds (distance) P-C4' energy: -3.128 flat angles C4'-P-C4' energy: -2.744 flat angles P-C4'-P energy: -2.390 tors. eta vs tors. theta energy: -4.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -23.922392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.922392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.922392 (E_RNA) where: Base-Base interactions energy: -7.072 where: short stacking energy: -7.072 Base-Backbone interact. energy: -0.000 local terms energy: -16.849974 where: bonds (distance) C4'-P energy: -1.054 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -2.793 flat angles P-C4'-P energy: -2.456 tors. eta vs tors. theta energy: -5.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -22.326847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.326847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.326847 (E_RNA) where: Base-Base interactions energy: -7.778 where: short stacking energy: -7.778 Base-Backbone interact. energy: -0.065 local terms energy: -14.483778 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.671 flat angles P-C4'-P energy: -2.247 tors. eta vs tors. theta energy: -0.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -23.248201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.248201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.248201 (E_RNA) where: Base-Base interactions energy: -5.510 where: short stacking energy: -5.510 Base-Backbone interact. energy: -0.005 local terms energy: -17.733190 where: bonds (distance) C4'-P energy: -3.309 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.337 flat angles P-C4'-P energy: -4.002 tors. eta vs tors. theta energy: -2.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -22.851120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.851120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.851120 (E_RNA) where: Base-Base interactions energy: -6.021 where: short stacking energy: -6.021 Base-Backbone interact. energy: -0.035 local terms energy: -16.795114 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -2.591 flat angles P-C4'-P energy: -3.511 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: 1, replica: 10 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -24.688603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.688603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.688603 (E_RNA) where: Base-Base interactions energy: -6.708 where: short stacking energy: -6.708 Base-Backbone interact. energy: -0.000 local terms energy: -17.980632 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.992 flat angles P-C4'-P energy: -0.955 tors. eta vs tors. theta energy: -3.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -25.502167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.502167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.502167 (E_RNA) where: Base-Base interactions energy: -5.900 where: short stacking energy: -5.900 Base-Backbone interact. energy: -0.000 local terms energy: -19.601826 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -3.474 flat angles P-C4'-P energy: -3.577 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: 3, replica: 1 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -25.362342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.362342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.362342 (E_RNA) where: Base-Base interactions energy: -5.603 where: short stacking energy: -5.603 Base-Backbone interact. energy: -0.000 local terms energy: -19.759728 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.310 flat angles P-C4'-P energy: -2.957 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: 4, replica: 6 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -22.521868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.521868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.521868 (E_RNA) where: Base-Base interactions energy: -7.458 where: short stacking energy: -7.458 Base-Backbone interact. energy: -0.000 local terms energy: -15.064234 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -1.676 flat angles P-C4'-P energy: -3.285 tors. eta vs tors. theta energy: -1.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -26.485060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.485060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.485060 (E_RNA) where: Base-Base interactions energy: -10.919 where: short stacking energy: -10.919 Base-Backbone interact. energy: -0.001 local terms energy: -15.564600 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -2.299 flat angles C4'-P-C4' energy: -3.625 flat angles P-C4'-P energy: -2.519 tors. eta vs tors. theta energy: -3.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -19.949454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.949454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.949454 (E_RNA) where: Base-Base interactions energy: -7.958 where: short stacking energy: -7.958 Base-Backbone interact. energy: -0.000 local terms energy: -11.991793 where: bonds (distance) C4'-P energy: -1.356 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -1.841 flat angles P-C4'-P energy: -2.706 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: 51 Temperature: 1.200000 Total energy: -22.938249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.938249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.938249 (E_RNA) where: Base-Base interactions energy: -4.650 where: short stacking energy: -4.650 Base-Backbone interact. energy: -0.000 local terms energy: -18.287745 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.904 flat angles P-C4'-P energy: -1.861 tors. eta vs tors. theta energy: -3.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -25.354798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.354798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.354798 (E_RNA) where: Base-Base interactions energy: -9.579 where: short stacking energy: -9.579 Base-Backbone interact. energy: -0.000 local terms energy: -15.775294 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -2.983 flat angles P-C4'-P energy: 0.076 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: 9, replica: 9 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -24.201931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.201931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.201931 (E_RNA) where: Base-Base interactions energy: -5.862 where: short stacking energy: -5.862 Base-Backbone interact. energy: -0.000 local terms energy: -18.340306 where: bonds (distance) C4'-P energy: -3.206 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -4.219 flat angles P-C4'-P energy: -3.587 tors. eta vs tors. theta energy: -3.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -20.996315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.996315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.996315 (E_RNA) where: Base-Base interactions energy: -6.565 where: short stacking energy: -6.565 Base-Backbone interact. energy: -0.001 local terms energy: -14.430140 where: bonds (distance) C4'-P energy: -0.433 bonds (distance) P-C4' energy: -3.818 flat angles C4'-P-C4' energy: -4.207 flat angles P-C4'-P energy: -3.957 tors. eta vs tors. theta energy: -2.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -31.678026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.678026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.678026 (E_RNA) where: Base-Base interactions energy: -10.773 where: short stacking energy: -10.773 Base-Backbone interact. energy: -0.000 local terms energy: -20.904998 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.207 flat angles P-C4'-P energy: -3.424 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: 10 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -27.483773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.483773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.483773 (E_RNA) where: Base-Base interactions energy: -11.115 where: short stacking energy: -11.115 Base-Backbone interact. energy: -0.012 local terms energy: -16.357024 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -2.636 flat angles P-C4'-P energy: -4.098 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: 3, replica: 6 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -25.094239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.094239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.094239 (E_RNA) where: Base-Base interactions energy: -8.356 where: short stacking energy: -8.356 Base-Backbone interact. energy: -0.000 local terms energy: -16.738682 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.485 flat angles P-C4'-P energy: -1.606 tors. eta vs tors. theta energy: -1.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -27.634651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.634651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.634651 (E_RNA) where: Base-Base interactions energy: -10.410 where: short stacking energy: -10.410 Base-Backbone interact. energy: -0.099 local terms energy: -17.125009 where: bonds (distance) C4'-P energy: -3.202 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -3.273 flat angles P-C4'-P energy: -2.441 tors. eta vs tors. theta energy: -2.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -25.734547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.734547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.734547 (E_RNA) where: Base-Base interactions energy: -9.599 where: short stacking energy: -9.599 Base-Backbone interact. energy: -1.087 local terms energy: -15.048376 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -3.068 flat angles C4'-P-C4' energy: -3.676 flat angles P-C4'-P energy: -3.928 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: 2 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -22.025435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.025435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.025435 (E_RNA) where: Base-Base interactions energy: -4.313 where: short stacking energy: -4.313 Base-Backbone interact. energy: -0.000 local terms energy: -17.712716 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.227 flat angles P-C4'-P energy: -2.772 tors. eta vs tors. theta energy: -2.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -22.709299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.709299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.709299 (E_RNA) where: Base-Base interactions energy: -7.024 where: short stacking energy: -7.024 Base-Backbone interact. energy: 0.201 local terms energy: -15.886421 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.746 flat angles P-C4'-P energy: -1.556 tors. eta vs tors. theta energy: -1.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -23.154939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.154939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.154939 (E_RNA) where: Base-Base interactions energy: -6.115 where: short stacking energy: -6.115 Base-Backbone interact. energy: -0.000 local terms energy: -17.039708 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -3.288 flat angles P-C4'-P energy: -2.604 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: 4 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -22.197443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.197443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.197443 (E_RNA) where: Base-Base interactions energy: -6.437 where: short stacking energy: -6.437 Base-Backbone interact. energy: -0.786 local terms energy: -14.974863 where: bonds (distance) C4'-P energy: -3.045 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.172 flat angles P-C4'-P energy: -1.150 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: 10, replica: 9 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -20.674849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.674849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.674849 (E_RNA) where: Base-Base interactions energy: -2.541 where: short stacking energy: -2.541 Base-Backbone interact. energy: -0.000 local terms energy: -18.133619 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.201 flat angles P-C4'-P energy: -3.186 tors. eta vs tors. theta energy: -1.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -29.925288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.925288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.925288 (E_RNA) where: Base-Base interactions energy: -11.298 where: short stacking energy: -11.298 Base-Backbone interact. energy: -0.021 local terms energy: -18.606103 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.664 flat angles P-C4'-P energy: -2.070 tors. eta vs tors. theta energy: -2.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -31.097482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.097482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.097482 (E_RNA) where: Base-Base interactions energy: -11.760 where: short stacking energy: -11.760 Base-Backbone interact. energy: -0.000 local terms energy: -19.337075 where: bonds (distance) C4'-P energy: -2.867 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.835 flat angles P-C4'-P energy: -2.971 tors. eta vs tors. theta energy: -3.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -29.010733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.010733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.010733 (E_RNA) where: Base-Base interactions energy: -9.160 where: short stacking energy: -9.160 Base-Backbone interact. energy: -0.000 local terms energy: -19.851136 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -4.382 flat angles P-C4'-P energy: -3.425 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: 4, replica: 5 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -25.923732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.923732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.923732 (E_RNA) where: Base-Base interactions energy: -8.340 where: short stacking energy: -8.340 Base-Backbone interact. energy: -0.007 local terms energy: -17.576389 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -3.673 flat angles P-C4'-P energy: -3.715 tors. eta vs tors. theta energy: -1.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -20.645905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.645905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.645905 (E_RNA) where: Base-Base interactions energy: -3.808 where: short stacking energy: -3.808 Base-Backbone interact. energy: -0.000 local terms energy: -16.837789 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -3.736 flat angles C4'-P-C4' energy: -4.924 flat angles P-C4'-P energy: -3.241 tors. eta vs tors. theta energy: -0.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -22.299051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.299051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.299051 (E_RNA) where: Base-Base interactions energy: -7.938 where: short stacking energy: -7.938 Base-Backbone interact. energy: -0.002 local terms energy: -14.359230 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.300 flat angles P-C4'-P energy: -2.786 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: 7, replica: 2 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -22.916174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.916174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.916174 (E_RNA) where: Base-Base interactions energy: -5.565 where: short stacking energy: -5.565 Base-Backbone interact. energy: -0.000 local terms energy: -17.350426 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.169 flat angles P-C4'-P energy: -1.459 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: 8, replica: 4 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -20.160534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.160534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.160534 (E_RNA) where: Base-Base interactions energy: -3.835 where: short stacking energy: -3.835 Base-Backbone interact. energy: 0.652 local terms energy: -16.977906 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -4.272 flat angles P-C4'-P energy: -3.192 tors. eta vs tors. theta energy: -0.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -21.530252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.530252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.530252 (E_RNA) where: Base-Base interactions energy: -8.660 where: short stacking energy: -8.660 Base-Backbone interact. energy: -0.000 local terms energy: -12.870518 where: bonds (distance) C4'-P energy: -2.668 bonds (distance) P-C4' energy: -2.803 flat angles C4'-P-C4' energy: -3.480 flat angles P-C4'-P energy: -1.196 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: 10, replica: 9 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -21.310271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.310271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.310271 (E_RNA) where: Base-Base interactions energy: -3.630 where: short stacking energy: -3.630 Base-Backbone interact. energy: -0.059 local terms energy: -17.620991 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.519 flat angles P-C4'-P energy: -2.272 tors. eta vs tors. theta energy: -2.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -27.379403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.379403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.379403 (E_RNA) where: Base-Base interactions energy: -7.527 where: short stacking energy: -7.527 Base-Backbone interact. energy: -0.002 local terms energy: -19.850771 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -4.048 flat angles P-C4'-P energy: -3.794 tors. eta vs tors. theta energy: -2.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -26.181337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.181337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.181337 (E_RNA) where: Base-Base interactions energy: -11.819 where: short stacking energy: -11.819 Base-Backbone interact. energy: -0.004 local terms energy: -14.358528 where: bonds (distance) C4'-P energy: -4.063 bonds (distance) P-C4' energy: -3.299 flat angles C4'-P-C4' energy: -2.829 flat angles P-C4'-P energy: -1.397 tors. eta vs tors. theta energy: -2.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -25.160928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.160928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.160928 (E_RNA) where: Base-Base interactions energy: -7.377 where: short stacking energy: -7.377 Base-Backbone interact. energy: -0.000 local terms energy: -17.784152 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.441 flat angles C4'-P-C4' energy: -3.522 flat angles P-C4'-P energy: -2.808 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: 4, replica: 10 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -28.443574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.443574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.443574 (E_RNA) where: Base-Base interactions energy: -10.913 where: short stacking energy: -10.913 Base-Backbone interact. energy: -0.034 local terms energy: -17.496817 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.199 flat angles P-C4'-P energy: -2.350 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: 5, replica: 1 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -23.191118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.191118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.191118 (E_RNA) where: Base-Base interactions energy: -7.705 where: short stacking energy: -7.705 Base-Backbone interact. energy: -0.001 local terms energy: -15.485647 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -1.832 flat angles P-C4'-P energy: -2.967 tors. eta vs tors. theta energy: -1.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -20.792753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.792753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.792753 (E_RNA) where: Base-Base interactions energy: -7.374 where: short stacking energy: -7.374 Base-Backbone interact. energy: -0.003 local terms energy: -13.415354 where: bonds (distance) C4'-P energy: -3.277 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -2.083 flat angles P-C4'-P energy: -2.011 tors. eta vs tors. theta energy: -1.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -21.544873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.544873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.544873 (E_RNA) where: Base-Base interactions energy: -3.174 where: short stacking energy: -3.174 Base-Backbone interact. energy: -0.000 local terms energy: -18.370613 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.128 flat angles C4'-P-C4' energy: -4.181 flat angles P-C4'-P energy: -3.441 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: 8, replica: 2 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -25.504188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.504188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.504188 (E_RNA) where: Base-Base interactions energy: -8.454 where: short stacking energy: -8.454 Base-Backbone interact. energy: -0.000 local terms energy: -17.050654 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.559 flat angles P-C4'-P energy: -1.117 tors. eta vs tors. theta energy: -3.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -22.631942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.631942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.631942 (E_RNA) where: Base-Base interactions energy: -6.842 where: short stacking energy: -6.842 Base-Backbone interact. energy: -0.000 local terms energy: -15.789159 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -2.219 flat angles P-C4'-P energy: -3.264 tors. eta vs tors. theta energy: -0.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -21.553646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.553646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.553646 (E_RNA) where: Base-Base interactions energy: -6.902 where: short stacking energy: -6.902 Base-Backbone interact. energy: -0.001 local terms energy: -14.649937 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.640 flat angles P-C4'-P energy: -3.249 tors. eta vs tors. theta energy: 1.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -32.286737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.286737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.286737 (E_RNA) where: Base-Base interactions energy: -12.236 where: short stacking energy: -12.236 Base-Backbone interact. energy: -0.000 local terms energy: -20.050726 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.575 flat angles C4'-P-C4' energy: -3.478 flat angles P-C4'-P energy: -2.331 tors. eta vs tors. theta energy: -5.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -23.834253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.834253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.834253 (E_RNA) where: Base-Base interactions energy: -7.901 where: short stacking energy: -7.901 Base-Backbone interact. energy: -0.002 local terms energy: -15.931154 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.103 flat angles C4'-P-C4' energy: -4.201 flat angles P-C4'-P energy: -3.207 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: 3, replica: 7 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -28.911096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.911096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.911096 (E_RNA) where: Base-Base interactions energy: -11.270 where: short stacking energy: -11.270 Base-Backbone interact. energy: -0.035 local terms energy: -17.605896 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.940 flat angles P-C4'-P energy: -3.673 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: 4, replica: 10 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -26.213563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.213563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.213563 (E_RNA) where: Base-Base interactions energy: -9.248 where: short stacking energy: -9.248 Base-Backbone interact. energy: -0.007 local terms energy: -16.958971 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -3.751 flat angles C4'-P-C4' energy: -2.626 flat angles P-C4'-P energy: -2.753 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: 5, replica: 1 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -22.697514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.697514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.697514 (E_RNA) where: Base-Base interactions energy: -7.823 where: short stacking energy: -7.823 Base-Backbone interact. energy: -0.043 local terms energy: -14.832038 where: bonds (distance) C4'-P energy: -3.442 bonds (distance) P-C4' energy: -4.051 flat angles C4'-P-C4' energy: -2.981 flat angles P-C4'-P energy: -3.257 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: 6, replica: 4 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -23.528006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.528006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.528006 (E_RNA) where: Base-Base interactions energy: -6.919 where: short stacking energy: -6.919 Base-Backbone interact. energy: -0.001 local terms energy: -16.607868 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.311 flat angles C4'-P-C4' energy: -3.904 flat angles P-C4'-P energy: -2.377 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: 8 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -21.018595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.018595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.018595 (E_RNA) where: Base-Base interactions energy: -7.038 where: short stacking energy: -7.038 Base-Backbone interact. energy: -0.072 local terms energy: -13.909200 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.392 flat angles P-C4'-P energy: -0.846 tors. eta vs tors. theta energy: -1.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -20.838543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.838543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.838543 (E_RNA) where: Base-Base interactions energy: -4.948 where: short stacking energy: -4.948 Base-Backbone interact. energy: -0.031 local terms energy: -15.859087 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.222 flat angles P-C4'-P energy: -2.591 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: 9, replica: 2 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -25.891620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.891620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.891620 (E_RNA) where: Base-Base interactions energy: -10.975 where: short stacking energy: -10.975 Base-Backbone interact. energy: -0.000 local terms energy: -14.916788 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -2.619 flat angles C4'-P-C4' energy: -4.717 flat angles P-C4'-P energy: -1.908 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: 10, replica: 9 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -22.268103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.268103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.268103 (E_RNA) where: Base-Base interactions energy: -6.460 where: short stacking energy: -6.460 Base-Backbone interact. energy: -0.048 local terms energy: -15.760199 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.144 flat angles P-C4'-P energy: -2.091 tors. eta vs tors. theta energy: -0.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -28.157449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.157449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.157449 (E_RNA) where: Base-Base interactions energy: -7.325 where: short stacking energy: -7.325 Base-Backbone interact. energy: -0.000 local terms energy: -20.832109 where: bonds (distance) C4'-P energy: -3.335 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.295 flat angles P-C4'-P energy: -3.939 tors. eta vs tors. theta energy: -4.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -26.698819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.698819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.698819 (E_RNA) where: Base-Base interactions energy: -7.223 where: short stacking energy: -7.223 Base-Backbone interact. energy: -0.000 local terms energy: -19.476119 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.869 flat angles P-C4'-P energy: -3.806 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: 3, replica: 10 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -26.618011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.618011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.618011 (E_RNA) where: Base-Base interactions energy: -7.490 where: short stacking energy: -7.490 Base-Backbone interact. energy: -0.084 local terms energy: -19.043914 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.413 flat angles C4'-P-C4' energy: -4.045 flat angles P-C4'-P energy: -3.558 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: 7 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -24.276666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.276666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.276666 (E_RNA) where: Base-Base interactions energy: -7.570 where: short stacking energy: -7.570 Base-Backbone interact. energy: -0.000 local terms energy: -16.707044 where: bonds (distance) C4'-P energy: -3.161 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.787 flat angles P-C4'-P energy: -2.299 tors. eta vs tors. theta energy: -2.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -20.716829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.716829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.716829 (E_RNA) where: Base-Base interactions energy: -3.985 where: short stacking energy: -3.985 Base-Backbone interact. energy: -0.019 local terms energy: -16.713114 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -3.932 flat angles P-C4'-P energy: -2.953 tors. eta vs tors. theta energy: -0.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -24.632354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.632354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.632354 (E_RNA) where: Base-Base interactions energy: -7.011 where: short stacking energy: -7.011 Base-Backbone interact. energy: -0.000 local terms energy: -17.621042 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -3.818 flat angles C4'-P-C4' energy: -3.621 flat angles P-C4'-P energy: -3.388 tors. eta vs tors. theta energy: -2.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -22.910774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.910774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.910774 (E_RNA) where: Base-Base interactions energy: -5.206 where: short stacking energy: -5.206 Base-Backbone interact. energy: -0.001 local terms energy: -17.703820 where: bonds (distance) C4'-P energy: -2.859 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.154 flat angles P-C4'-P energy: -2.568 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: 8, replica: 8 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -20.713276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.713276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.713276 (E_RNA) where: Base-Base interactions energy: -3.935 where: short stacking energy: -3.935 Base-Backbone interact. energy: -0.020 local terms energy: -16.758222 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -1.922 flat angles P-C4'-P energy: -3.950 tors. eta vs tors. theta energy: -1.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -20.213094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.213094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.213094 (E_RNA) where: Base-Base interactions energy: -6.194 where: short stacking energy: -6.194 Base-Backbone interact. energy: -0.000 local terms energy: -14.019439 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -3.208 flat angles C4'-P-C4' energy: -4.268 flat angles P-C4'-P energy: -3.234 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: 10, replica: 2 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -19.832941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.832941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.832941 (E_RNA) where: Base-Base interactions energy: -3.930 where: short stacking energy: -3.930 Base-Backbone interact. energy: -0.062 local terms energy: -15.840823 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -3.548 flat angles C4'-P-C4' energy: -4.817 flat angles P-C4'-P energy: -2.481 tors. eta vs tors. theta energy: -0.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -25.555335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.555335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.555335 (E_RNA) where: Base-Base interactions energy: -9.218 where: short stacking energy: -9.218 Base-Backbone interact. energy: -0.000 local terms energy: -16.336922 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -3.518 flat angles C4'-P-C4' energy: -3.815 flat angles P-C4'-P energy: -1.187 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: 2, replica: 10 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -26.036565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.036565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.036565 (E_RNA) where: Base-Base interactions energy: -8.275 where: short stacking energy: -8.326 Base-Backbone interact. energy: -0.018 local terms energy: -17.743620 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -3.409 flat angles P-C4'-P energy: -3.121 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: 3, replica: 6 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -25.247352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.247352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.247352 (E_RNA) where: Base-Base interactions energy: -6.791 where: short stacking energy: -6.791 Base-Backbone interact. energy: -0.002 local terms energy: -18.454003 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -4.138 flat angles P-C4'-P energy: -3.871 tors. eta vs tors. theta energy: -1.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -23.039672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.039672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.039672 (E_RNA) where: Base-Base interactions energy: -7.669 where: short stacking energy: -7.669 Base-Backbone interact. energy: -0.000 local terms energy: -15.370596 where: bonds (distance) C4'-P energy: -2.920 bonds (distance) P-C4' energy: -3.360 flat angles C4'-P-C4' energy: -4.500 flat angles P-C4'-P energy: -3.503 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: 7 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -20.678034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.678034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.678034 (E_RNA) where: Base-Base interactions energy: -2.370 where: short stacking energy: -2.370 Base-Backbone interact. energy: -0.000 local terms energy: -18.307689 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.230 flat angles P-C4'-P energy: -3.994 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: 6, replica: 3 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -26.333995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.333995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.333995 (E_RNA) where: Base-Base interactions energy: -10.158 where: short stacking energy: -10.158 Base-Backbone interact. energy: -0.000 local terms energy: -16.175574 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -3.984 flat angles C4'-P-C4' energy: -4.176 flat angles P-C4'-P energy: -2.571 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: 7, replica: 1 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -24.475059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.475059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.475059 (E_RNA) where: Base-Base interactions energy: -8.713 where: short stacking energy: -8.713 Base-Backbone interact. energy: -0.021 local terms energy: -15.741307 where: bonds (distance) C4'-P energy: -3.574 bonds (distance) P-C4' energy: -4.149 flat angles C4'-P-C4' energy: -3.743 flat angles P-C4'-P energy: -2.511 tors. eta vs tors. theta energy: -1.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -23.807608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.807608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.807608 (E_RNA) where: Base-Base interactions energy: -6.626 where: short stacking energy: -6.626 Base-Backbone interact. energy: -0.195 local terms energy: -16.986260 where: bonds (distance) C4'-P energy: -2.680 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.430 flat angles P-C4'-P energy: -3.814 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: 9, replica: 8 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -23.100903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.100903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.100903 (E_RNA) where: Base-Base interactions energy: -8.366 where: short stacking energy: -8.366 Base-Backbone interact. energy: -0.000 local terms energy: -14.735271 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.290 flat angles C4'-P-C4' energy: -2.969 flat angles P-C4'-P energy: -1.770 tors. eta vs tors. theta energy: -2.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -23.074166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.074166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.074166 (E_RNA) where: Base-Base interactions energy: -8.343 where: short stacking energy: -8.343 Base-Backbone interact. energy: -0.000 local terms energy: -14.730908 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.342 flat angles C4'-P-C4' energy: -3.110 flat angles P-C4'-P energy: -1.234 tors. eta vs tors. theta energy: -1.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -31.852457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.852457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.852457 (E_RNA) where: Base-Base interactions energy: -11.233 where: short stacking energy: -11.233 Base-Backbone interact. energy: -0.000 local terms energy: -20.619914 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.106 flat angles C4'-P-C4' energy: -4.216 flat angles P-C4'-P energy: -3.355 tors. eta vs tors. theta energy: -4.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -23.769520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.769520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.769520 (E_RNA) where: Base-Base interactions energy: -5.921 where: short stacking energy: -5.921 Base-Backbone interact. energy: -0.049 local terms energy: -17.799601 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.044 flat angles C4'-P-C4' energy: -4.398 flat angles P-C4'-P energy: -2.673 tors. eta vs tors. theta energy: -2.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -26.746786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.746786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.746786 (E_RNA) where: Base-Base interactions energy: -7.406 where: short stacking energy: -7.406 Base-Backbone interact. energy: -0.000 local terms energy: -19.340695 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.456 flat angles P-C4'-P energy: -3.326 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: 4, replica: 6 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -27.327803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.327803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.327803 (E_RNA) where: Base-Base interactions energy: -9.410 where: short stacking energy: -8.576 Base-Backbone interact. energy: -0.000 local terms energy: -17.917808 where: bonds (distance) C4'-P energy: -3.344 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.628 flat angles P-C4'-P energy: -2.235 tors. eta vs tors. theta energy: -2.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -25.206413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.206413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.206413 (E_RNA) where: Base-Base interactions energy: -7.597 where: short stacking energy: -7.597 Base-Backbone interact. energy: -0.872 local terms energy: -16.737212 where: bonds (distance) C4'-P energy: -2.307 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.626 flat angles P-C4'-P energy: -3.511 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: 6, replica: 7 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -20.104867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.104867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.104867 (E_RNA) where: Base-Base interactions energy: -2.967 where: short stacking energy: -2.967 Base-Backbone interact. energy: -0.001 local terms energy: -17.137367 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.525 flat angles P-C4'-P energy: -3.918 tors. eta vs tors. theta energy: 0.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -20.015171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.015171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.015171 (E_RNA) where: Base-Base interactions energy: -4.050 where: short stacking energy: -4.050 Base-Backbone interact. energy: -0.000 local terms energy: -15.964907 where: bonds (distance) C4'-P energy: -2.900 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -2.811 flat angles P-C4'-P energy: -3.376 tors. eta vs tors. theta energy: -1.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -22.742704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.742704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.742704 (E_RNA) where: Base-Base interactions energy: -8.677 where: short stacking energy: -8.677 Base-Backbone interact. energy: -0.000 local terms energy: -14.064980 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.375 flat angles P-C4'-P energy: -0.618 tors. eta vs tors. theta energy: 0.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -21.030627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.030627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.030627 (E_RNA) where: Base-Base interactions energy: -7.598 where: short stacking energy: -7.598 Base-Backbone interact. energy: -0.070 local terms energy: -13.362374 where: bonds (distance) C4'-P energy: -2.465 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.294 flat angles P-C4'-P energy: -2.583 tors. eta vs tors. theta energy: 0.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -22.799523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.799523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.799523 (E_RNA) where: Base-Base interactions energy: -7.051 where: short stacking energy: -7.051 Base-Backbone interact. energy: -0.009 local terms energy: -15.740144 where: bonds (distance) C4'-P energy: -2.307 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.485 flat angles P-C4'-P energy: -3.149 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: 10 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -25.425697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.425697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.425697 (E_RNA) where: Base-Base interactions energy: -8.126 where: short stacking energy: -8.126 Base-Backbone interact. energy: -0.015 local terms energy: -17.284281 where: bonds (distance) C4'-P energy: -2.892 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -2.718 flat angles P-C4'-P energy: -3.884 tors. eta vs tors. theta energy: -2.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -24.339071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.339071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.339071 (E_RNA) where: Base-Base interactions energy: -6.735 where: short stacking energy: -6.735 Base-Backbone interact. energy: -0.000 local terms energy: -17.603835 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -3.715 flat angles P-C4'-P energy: -3.692 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: 3, replica: 5 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -24.122668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.122668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.122668 (E_RNA) where: Base-Base interactions energy: -6.941 where: short stacking energy: -6.941 Base-Backbone interact. energy: -0.000 local terms energy: -17.181732 where: bonds (distance) C4'-P energy: -3.708 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -2.880 flat angles P-C4'-P energy: -1.683 tors. eta vs tors. theta energy: -4.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -25.337018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.337018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.337018 (E_RNA) where: Base-Base interactions energy: -6.848 where: short stacking energy: -6.848 Base-Backbone interact. energy: -0.001 local terms energy: -18.487798 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.921 flat angles P-C4'-P energy: -2.478 tors. eta vs tors. theta energy: -3.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -30.831203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.831203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.831203 (E_RNA) where: Base-Base interactions energy: -11.053 where: short stacking energy: -11.053 Base-Backbone interact. energy: -0.000 local terms energy: -19.778483 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.678 flat angles C4'-P-C4' energy: -3.840 flat angles P-C4'-P energy: -2.719 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: 6, replica: 9 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -23.687220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.687220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.687220 (E_RNA) where: Base-Base interactions energy: -6.139 where: short stacking energy: -6.139 Base-Backbone interact. energy: -0.006 local terms energy: -17.541703 where: bonds (distance) C4'-P energy: -4.171 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.820 flat angles P-C4'-P energy: -3.344 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: 7, replica: 7 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -21.679864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.679864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.679864 (E_RNA) where: Base-Base interactions energy: -4.513 where: short stacking energy: -4.513 Base-Backbone interact. energy: -0.048 local terms energy: -17.118892 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.152 flat angles C4'-P-C4' energy: -3.724 flat angles P-C4'-P energy: -3.072 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: 8, replica: 2 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -25.000983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.000983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.000983 (E_RNA) where: Base-Base interactions energy: -5.777 where: short stacking energy: -5.777 Base-Backbone interact. energy: -0.001 local terms energy: -19.222333 where: bonds (distance) C4'-P energy: -4.125 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.972 flat angles P-C4'-P energy: -2.591 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: 9, replica: 1 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -20.563035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.563035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.563035 (E_RNA) where: Base-Base interactions energy: -6.512 where: short stacking energy: -6.512 Base-Backbone interact. energy: -0.059 local terms energy: -13.991108 where: bonds (distance) C4'-P energy: -3.053 bonds (distance) P-C4' energy: -4.606 flat angles C4'-P-C4' energy: -4.873 flat angles P-C4'-P energy: -0.545 tors. eta vs tors. theta energy: -0.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -21.363029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.363029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.363029 (E_RNA) where: Base-Base interactions energy: -6.842 where: short stacking energy: -6.842 Base-Backbone interact. energy: -0.001 local terms energy: -14.520197 where: bonds (distance) C4'-P energy: -2.271 bonds (distance) P-C4' energy: -4.044 flat angles C4'-P-C4' energy: -2.594 flat angles P-C4'-P energy: -3.406 tors. eta vs tors. theta energy: -2.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -26.108378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.108378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.108378 (E_RNA) where: Base-Base interactions energy: -7.901 where: short stacking energy: -7.901 Base-Backbone interact. energy: -0.002 local terms energy: -18.205866 where: bonds (distance) C4'-P energy: -4.535 bonds (distance) P-C4' energy: -2.429 flat angles C4'-P-C4' energy: -4.168 flat angles P-C4'-P energy: -3.778 tors. eta vs tors. theta energy: -3.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -23.135415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.135415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.135415 (E_RNA) where: Base-Base interactions energy: -5.875 where: short stacking energy: -5.875 Base-Backbone interact. energy: -0.007 local terms energy: -17.253274 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -3.557 flat angles C4'-P-C4' energy: -4.576 flat angles P-C4'-P energy: -2.439 tors. eta vs tors. theta energy: -2.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -27.940549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.940549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.940549 (E_RNA) where: Base-Base interactions energy: -10.733 where: short stacking energy: -10.733 Base-Backbone interact. energy: -0.000 local terms energy: -17.207997 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.569 flat angles P-C4'-P energy: -2.073 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: 5 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -27.673049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.673049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.673049 (E_RNA) where: Base-Base interactions energy: -11.651 where: short stacking energy: -11.651 Base-Backbone interact. energy: -0.000 local terms energy: -16.021857 where: bonds (distance) C4'-P energy: -2.975 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -2.759 flat angles P-C4'-P energy: -3.428 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: 9 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -23.898829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.898829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.898829 (E_RNA) where: Base-Base interactions energy: -7.499 where: short stacking energy: -7.499 Base-Backbone interact. energy: -0.006 local terms energy: -16.393444 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -2.870 flat angles C4'-P-C4' energy: -4.628 flat angles P-C4'-P energy: -4.072 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: 6, replica: 6 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -23.196545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.196545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.196545 (E_RNA) where: Base-Base interactions energy: -6.403 where: short stacking energy: -6.403 Base-Backbone interact. energy: -0.034 local terms energy: -16.759893 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -3.984 flat angles C4'-P-C4' energy: -3.133 flat angles P-C4'-P energy: -2.332 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: 7, replica: 2 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -23.154680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.154680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.154680 (E_RNA) where: Base-Base interactions energy: -4.796 where: short stacking energy: -4.796 Base-Backbone interact. energy: -0.000 local terms energy: -18.358792 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -3.834 flat angles P-C4'-P energy: -1.513 tors. eta vs tors. theta energy: -3.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -25.777001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.777001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.777001 (E_RNA) where: Base-Base interactions energy: -9.476 where: short stacking energy: -9.476 Base-Backbone interact. energy: -0.000 local terms energy: -16.301245 where: bonds (distance) C4'-P energy: -2.788 bonds (distance) P-C4' energy: -3.790 flat angles C4'-P-C4' energy: -3.813 flat angles P-C4'-P energy: -1.518 tors. eta vs tors. theta energy: -4.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -21.083716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.083716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.083716 (E_RNA) where: Base-Base interactions energy: -4.110 where: short stacking energy: -4.110 Base-Backbone interact. energy: -0.003 local terms energy: -16.970333 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.786 flat angles P-C4'-P energy: -1.987 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: 10, replica: 1 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -19.999862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.999862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.999862 (E_RNA) where: Base-Base interactions energy: -7.771 where: short stacking energy: -7.771 Base-Backbone interact. energy: -0.055 local terms energy: -12.173812 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.480 flat angles P-C4'-P energy: 0.453 tors. eta vs tors. theta energy: -0.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -26.346569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.346569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.346569 (E_RNA) where: Base-Base interactions energy: -9.958 where: short stacking energy: -9.958 Base-Backbone interact. energy: -0.003 local terms energy: -16.385440 where: bonds (distance) C4'-P energy: -2.307 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.271 flat angles P-C4'-P energy: -3.063 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: 2, replica: 3 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -31.341736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.341736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.341736 (E_RNA) where: Base-Base interactions energy: -12.056 where: short stacking energy: -12.056 Base-Backbone interact. energy: -0.000 local terms energy: -19.285474 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.173 flat angles P-C4'-P energy: -3.567 tors. eta vs tors. theta energy: -2.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -25.035973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.035973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.035973 (E_RNA) where: Base-Base interactions energy: -7.741 where: short stacking energy: -7.741 Base-Backbone interact. energy: -0.013 local terms energy: -17.282012 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -3.410 flat angles P-C4'-P energy: -3.795 tors. eta vs tors. theta energy: -1.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -24.579572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.579572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.579572 (E_RNA) where: Base-Base interactions energy: -7.870 where: short stacking energy: -7.870 Base-Backbone interact. energy: -0.024 local terms energy: -16.685529 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -4.370 flat angles C4'-P-C4' energy: -3.273 flat angles P-C4'-P energy: -2.853 tors. eta vs tors. theta energy: -2.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -24.282489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.282489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.282489 (E_RNA) where: Base-Base interactions energy: -4.665 where: short stacking energy: -4.665 Base-Backbone interact. energy: -0.000 local terms energy: -19.617600 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.510 flat angles P-C4'-P energy: -3.077 tors. eta vs tors. theta energy: -3.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -24.552264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.552264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.552264 (E_RNA) where: Base-Base interactions energy: -6.730 where: short stacking energy: -6.730 Base-Backbone interact. energy: -0.000 local terms energy: -17.822470 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -3.103 flat angles C4'-P-C4' energy: -3.938 flat angles P-C4'-P energy: -2.423 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: 7, replica: 6 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -22.384125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.384125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.384125 (E_RNA) where: Base-Base interactions energy: -5.400 where: short stacking energy: -5.400 Base-Backbone interact. energy: -0.000 local terms energy: -16.983918 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.525 flat angles P-C4'-P energy: -2.977 tors. eta vs tors. theta energy: -0.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -21.632392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.632392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.632392 (E_RNA) where: Base-Base interactions energy: -6.608 where: short stacking energy: -6.608 Base-Backbone interact. energy: -0.000 local terms energy: -15.024009 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -4.413 flat angles C4'-P-C4' energy: -3.988 flat angles P-C4'-P energy: -3.121 tors. eta vs tors. theta energy: 0.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -22.438738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.438738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.438738 (E_RNA) where: Base-Base interactions energy: -7.420 where: short stacking energy: -7.420 Base-Backbone interact. energy: -0.001 local terms energy: -15.018311 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.206 flat angles P-C4'-P energy: -0.792 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: 10, replica: 1 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -22.621586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.621586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.621586 (E_RNA) where: Base-Base interactions energy: -5.517 where: short stacking energy: -5.517 Base-Backbone interact. energy: -0.001 local terms energy: -17.103571 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.040 flat angles P-C4'-P energy: -2.886 tors. eta vs tors. theta energy: -0.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -27.060534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.060534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.060534 (E_RNA) where: Base-Base interactions energy: -9.546 where: short stacking energy: -9.546 Base-Backbone interact. energy: -0.000 local terms energy: -17.514869 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.842 flat angles C4'-P-C4' energy: -3.493 flat angles P-C4'-P energy: -1.754 tors. eta vs tors. theta energy: -3.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -25.726229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.726229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.726229 (E_RNA) where: Base-Base interactions energy: -12.867 where: short stacking energy: -12.867 Base-Backbone interact. energy: -0.022 local terms energy: -12.836806 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -2.894 flat angles P-C4'-P energy: -2.272 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: 3, replica: 9 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -27.149099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.149099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.149099 (E_RNA) where: Base-Base interactions energy: -7.729 where: short stacking energy: -7.729 Base-Backbone interact. energy: -0.000 local terms energy: -19.420233 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.379 flat angles P-C4'-P energy: -3.391 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: 10 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -21.385187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.385187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.385187 (E_RNA) where: Base-Base interactions energy: -7.502 where: short stacking energy: -7.502 Base-Backbone interact. energy: -0.002 local terms energy: -13.881160 where: bonds (distance) C4'-P energy: -1.161 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -3.879 flat angles P-C4'-P energy: -3.644 tors. eta vs tors. theta energy: -0.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -22.125230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.125230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.125230 (E_RNA) where: Base-Base interactions energy: -7.688 where: short stacking energy: -7.688 Base-Backbone interact. energy: -0.000 local terms energy: -14.436544 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -3.723 flat angles C4'-P-C4' energy: -0.326 flat angles P-C4'-P energy: -2.510 tors. eta vs tors. theta energy: -3.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -24.087682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.087682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.087682 (E_RNA) where: Base-Base interactions energy: -7.011 where: short stacking energy: -7.011 Base-Backbone interact. energy: -0.017 local terms energy: -17.059797 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -4.051 flat angles C4'-P-C4' energy: -4.068 flat angles P-C4'-P energy: -2.644 tors. eta vs tors. theta energy: -2.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -25.629129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.629129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.629129 (E_RNA) where: Base-Base interactions energy: -8.545 where: short stacking energy: -8.545 Base-Backbone interact. energy: -0.000 local terms energy: -17.083800 where: bonds (distance) C4'-P energy: -2.449 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -4.659 flat angles P-C4'-P energy: -2.687 tors. eta vs tors. theta energy: -2.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -25.247794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.247794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.247794 (E_RNA) where: Base-Base interactions energy: -7.272 where: short stacking energy: -7.272 Base-Backbone interact. energy: -0.000 local terms energy: -17.975692 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -3.751 flat angles C4'-P-C4' energy: -3.077 flat angles P-C4'-P energy: -3.492 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: 9, replica: 1 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -20.610998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.610998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.610998 (E_RNA) where: Base-Base interactions energy: -5.021 where: short stacking energy: -5.021 Base-Backbone interact. energy: -0.000 local terms energy: -15.590047 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.183 flat angles P-C4'-P energy: -2.128 tors. eta vs tors. theta energy: 0.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -20.391485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.391485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.391485 (E_RNA) where: Base-Base interactions energy: -5.448 where: short stacking energy: -5.448 Base-Backbone interact. energy: -0.000 local terms energy: -14.943207 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -4.262 flat angles P-C4'-P energy: 0.119 tors. eta vs tors. theta energy: -2.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -28.292559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.292559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.292559 (E_RNA) where: Base-Base interactions energy: -8.253 where: short stacking energy: -8.253 Base-Backbone interact. energy: -0.000 local terms energy: -20.039422 where: bonds (distance) C4'-P energy: -3.861 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.402 flat angles P-C4'-P energy: -3.235 tors. eta vs tors. theta energy: -3.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -28.627257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.627257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.627257 (E_RNA) where: Base-Base interactions energy: -10.323 where: short stacking energy: -10.323 Base-Backbone interact. energy: -0.000 local terms energy: -18.304540 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -4.842 flat angles C4'-P-C4' energy: -4.042 flat angles P-C4'-P energy: -1.819 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: 3, replica: 4 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -27.333113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.333113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.333113 (E_RNA) where: Base-Base interactions energy: -8.026 where: short stacking energy: -8.026 Base-Backbone interact. energy: -0.000 local terms energy: -19.307588 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.491 flat angles P-C4'-P energy: -2.910 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: 4, replica: 2 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -23.459033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.459033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.459033 (E_RNA) where: Base-Base interactions energy: -8.751 where: short stacking energy: -8.751 Base-Backbone interact. energy: -0.000 local terms energy: -14.707461 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -3.075 flat angles C4'-P-C4' energy: -4.032 flat angles P-C4'-P energy: -2.953 tors. eta vs tors. theta energy: -0.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -27.832733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.832733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.832733 (E_RNA) where: Base-Base interactions energy: -8.855 where: short stacking energy: -8.855 Base-Backbone interact. energy: -0.000 local terms energy: -18.977684 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.676 flat angles P-C4'-P energy: -3.262 tors. eta vs tors. theta energy: -2.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -19.540078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.540078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.540078 (E_RNA) where: Base-Base interactions energy: -6.886 where: short stacking energy: -6.886 Base-Backbone interact. energy: 0.076 local terms energy: -12.729664 where: bonds (distance) C4'-P energy: -4.233 bonds (distance) P-C4' energy: -2.029 flat angles C4'-P-C4' energy: -4.346 flat angles P-C4'-P energy: -2.584 tors. eta vs tors. theta energy: 0.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -21.171379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.171379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.171379 (E_RNA) where: Base-Base interactions energy: -7.293 where: short stacking energy: -7.293 Base-Backbone interact. energy: -0.002 local terms energy: -13.876780 where: bonds (distance) C4'-P energy: -3.268 bonds (distance) P-C4' energy: -1.007 flat angles C4'-P-C4' energy: -3.858 flat angles P-C4'-P energy: -2.750 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: 8, replica: 1 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -23.692790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.692790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.692790 (E_RNA) where: Base-Base interactions energy: -4.599 where: short stacking energy: -4.599 Base-Backbone interact. energy: -0.000 local terms energy: -19.093908 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.324 flat angles P-C4'-P energy: -3.046 tors. eta vs tors. theta energy: -2.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -21.981846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.981846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.981846 (E_RNA) where: Base-Base interactions energy: -6.818 where: short stacking energy: -6.818 Base-Backbone interact. energy: -0.000 local terms energy: -15.163905 where: bonds (distance) C4'-P energy: -3.513 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -2.638 flat angles P-C4'-P energy: -3.158 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: 7 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -19.580378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.580378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.580378 (E_RNA) where: Base-Base interactions energy: -8.219 where: short stacking energy: -8.219 Base-Backbone interact. energy: -0.000 local terms energy: -11.361469 where: bonds (distance) C4'-P energy: -1.559 bonds (distance) P-C4' energy: -1.694 flat angles C4'-P-C4' energy: -3.318 flat angles P-C4'-P energy: -2.683 tors. eta vs tors. theta energy: -2.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -30.021685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.021685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.021685 (E_RNA) where: Base-Base interactions energy: -10.144 where: short stacking energy: -10.144 Base-Backbone interact. energy: -0.012 local terms energy: -19.865443 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.275 flat angles P-C4'-P energy: -4.003 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: 2, replica: 3 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -26.564061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.564061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.564061 (E_RNA) where: Base-Base interactions energy: -7.317 where: short stacking energy: -7.317 Base-Backbone interact. energy: -0.000 local terms energy: -19.247393 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -4.682 flat angles P-C4'-P energy: -1.651 tors. eta vs tors. theta energy: -3.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -26.831169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.831169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.831169 (E_RNA) where: Base-Base interactions energy: -10.221 where: short stacking energy: -10.221 Base-Backbone interact. energy: -0.000 local terms energy: -16.609919 where: bonds (distance) C4'-P energy: -3.185 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.000 flat angles P-C4'-P energy: -2.243 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: 4, replica: 4 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -25.224134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.224134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.224134 (E_RNA) where: Base-Base interactions energy: -7.349 where: short stacking energy: -7.349 Base-Backbone interact. energy: -0.174 local terms energy: -17.700512 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.164 flat angles P-C4'-P energy: -3.000 tors. eta vs tors. theta energy: -2.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -24.707428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.707428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.707428 (E_RNA) where: Base-Base interactions energy: -7.356 where: short stacking energy: -7.356 Base-Backbone interact. energy: 0.311 local terms energy: -17.662885 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.656 flat angles P-C4'-P energy: -2.256 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: 10 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -23.281963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.281963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.281963 (E_RNA) where: Base-Base interactions energy: -6.189 where: short stacking energy: -6.189 Base-Backbone interact. energy: -0.000 local terms energy: -17.092456 where: bonds (distance) C4'-P energy: -3.020 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -4.557 flat angles P-C4'-P energy: -3.794 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: 7, replica: 1 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -23.370874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.370874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.370874 (E_RNA) where: Base-Base interactions energy: -7.253 where: short stacking energy: -7.253 Base-Backbone interact. energy: -0.000 local terms energy: -16.117762 where: bonds (distance) C4'-P energy: -2.209 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.414 flat angles P-C4'-P energy: -1.722 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: 8, replica: 5 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -21.437816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.437816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.437816 (E_RNA) where: Base-Base interactions energy: -6.081 where: short stacking energy: -6.081 Base-Backbone interact. energy: -0.018 local terms energy: -15.339121 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -2.015 flat angles P-C4'-P energy: -3.920 tors. eta vs tors. theta energy: -0.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -22.508030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.508030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.508030 (E_RNA) where: Base-Base interactions energy: -3.723 where: short stacking energy: -3.723 Base-Backbone interact. energy: -0.000 local terms energy: -18.784748 where: bonds (distance) C4'-P energy: -2.743 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.849 flat angles P-C4'-P energy: -3.610 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: 10, replica: 6 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -18.189175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.189175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.189175 (E_RNA) where: Base-Base interactions energy: -4.131 where: short stacking energy: -4.131 Base-Backbone interact. energy: -0.178 local terms energy: -13.880470 where: bonds (distance) C4'-P energy: -3.008 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.452 flat angles P-C4'-P energy: -3.593 tors. eta vs tors. theta energy: 2.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -25.179691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.179691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.179691 (E_RNA) where: Base-Base interactions energy: -12.121 where: short stacking energy: -12.121 Base-Backbone interact. energy: -0.101 local terms energy: -12.957450 where: bonds (distance) C4'-P energy: -2.263 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -2.201 flat angles P-C4'-P energy: -1.915 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: 2, replica: 2 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -27.483864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.483864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.483864 (E_RNA) where: Base-Base interactions energy: -6.937 where: short stacking energy: -6.937 Base-Backbone interact. energy: -0.000 local terms energy: -20.546986 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.801 flat angles P-C4'-P energy: -3.081 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: 3, replica: 3 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -23.696621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.696621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.696621 (E_RNA) where: Base-Base interactions energy: -7.699 where: short stacking energy: -7.680 Base-Backbone interact. energy: -0.030 local terms energy: -15.968036 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.156 flat angles C4'-P-C4' energy: -4.167 flat angles P-C4'-P energy: -2.044 tors. eta vs tors. theta energy: -1.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -24.577500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.577500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.577500 (E_RNA) where: Base-Base interactions energy: -7.383 where: short stacking energy: -7.383 Base-Backbone interact. energy: -0.000 local terms energy: -17.194513 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.655 flat angles P-C4'-P energy: -1.869 tors. eta vs tors. theta energy: -2.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -24.907550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.907550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.907550 (E_RNA) where: Base-Base interactions energy: -7.040 where: short stacking energy: -7.040 Base-Backbone interact. energy: -0.076 local terms energy: -17.791021 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.482 flat angles P-C4'-P energy: -4.014 tors. eta vs tors. theta energy: -1.310 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: 6, replica: 1 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -26.173553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.173553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.173553 (E_RNA) where: Base-Base interactions energy: -7.392 where: short stacking energy: -7.392 Base-Backbone interact. energy: -0.000 local terms energy: -18.781322 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.765 flat angles P-C4'-P energy: -2.308 tors. eta vs tors. theta energy: -2.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -23.965010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.965010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.965010 (E_RNA) where: Base-Base interactions energy: -10.904 where: short stacking energy: -10.904 Base-Backbone interact. energy: -0.000 local terms energy: -13.060752 where: bonds (distance) C4'-P energy: -0.921 bonds (distance) P-C4' energy: -2.680 flat angles C4'-P-C4' energy: -3.024 flat angles P-C4'-P energy: -2.796 tors. eta vs tors. theta energy: -3.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -19.816398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.816398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.816398 (E_RNA) where: Base-Base interactions energy: -3.636 where: short stacking energy: -3.636 Base-Backbone interact. energy: -0.005 local terms energy: -16.175813 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.344 flat angles P-C4'-P energy: -2.940 tors. eta vs tors. theta energy: -0.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -19.714596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.714596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.714596 (E_RNA) where: Base-Base interactions energy: -4.121 where: short stacking energy: -4.121 Base-Backbone interact. energy: -0.002 local terms energy: -15.591691 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -2.747 flat angles P-C4'-P energy: -3.670 tors. eta vs tors. theta energy: 0.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -22.312492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.312492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.312492 (E_RNA) where: Base-Base interactions energy: -6.019 where: short stacking energy: -6.019 Base-Backbone interact. energy: -0.000 local terms energy: -16.293694 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.368 flat angles P-C4'-P energy: -1.939 tors. eta vs tors. theta energy: -0.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -27.098869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.098869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.098869 (E_RNA) where: Base-Base interactions energy: -7.614 where: short stacking energy: -7.614 Base-Backbone interact. energy: -0.000 local terms energy: -19.484862 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.088 flat angles P-C4'-P energy: -3.489 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: 66 Temperature: 0.950000 Total energy: -28.692396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.692396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.692396 (E_RNA) where: Base-Base interactions energy: -9.630 where: short stacking energy: -9.630 Base-Backbone interact. energy: -0.000 local terms energy: -19.062064 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.345 flat angles C4'-P-C4' energy: -3.773 flat angles P-C4'-P energy: -3.287 tors. eta vs tors. theta energy: -3.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -24.312066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.312066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.312066 (E_RNA) where: Base-Base interactions energy: -7.922 where: short stacking energy: -7.922 Base-Backbone interact. energy: -0.017 local terms energy: -16.372578 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.587 flat angles P-C4'-P energy: -0.981 tors. eta vs tors. theta energy: -1.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -27.936419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.936419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.936419 (E_RNA) where: Base-Base interactions energy: -8.906 where: short stacking energy: -8.906 Base-Backbone interact. energy: -0.003 local terms energy: -19.026721 where: bonds (distance) C4'-P energy: -3.708 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.254 flat angles P-C4'-P energy: -2.316 tors. eta vs tors. theta energy: -3.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -23.422902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.422902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.422902 (E_RNA) where: Base-Base interactions energy: -4.541 where: short stacking energy: -4.541 Base-Backbone interact. energy: -0.000 local terms energy: -18.881750 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.837 flat angles P-C4'-P energy: -2.756 tors. eta vs tors. theta energy: -2.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -23.341598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.341598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.341598 (E_RNA) where: Base-Base interactions energy: -5.320 where: short stacking energy: -5.320 Base-Backbone interact. energy: 0.158 local terms energy: -18.179428 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -4.396 flat angles P-C4'-P energy: -3.702 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: 7, replica: 7 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -23.201295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.201295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.201295 (E_RNA) where: Base-Base interactions energy: -7.582 where: short stacking energy: -7.582 Base-Backbone interact. energy: -0.000 local terms energy: -15.619194 where: bonds (distance) C4'-P energy: -3.889 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.455 flat angles P-C4'-P energy: -3.477 tors. eta vs tors. theta energy: 0.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -21.373980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.373980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.373980 (E_RNA) where: Base-Base interactions energy: -7.203 where: short stacking energy: -7.203 Base-Backbone interact. energy: -0.000 local terms energy: -14.170793 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -2.834 flat angles P-C4'-P energy: -2.156 tors. eta vs tors. theta energy: 0.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -23.239106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.239106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.239106 (E_RNA) where: Base-Base interactions energy: -8.624 where: short stacking energy: -8.624 Base-Backbone interact. energy: -0.000 local terms energy: -14.614554 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -3.128 flat angles C4'-P-C4' energy: -4.570 flat angles P-C4'-P energy: -1.203 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: 10, replica: 5 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -20.315669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.315669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.315669 (E_RNA) where: Base-Base interactions energy: -6.405 where: short stacking energy: -6.405 Base-Backbone interact. energy: -0.005 local terms energy: -13.905844 where: bonds (distance) C4'-P energy: -4.270 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.466 flat angles P-C4'-P energy: -0.702 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: 67 Temperature: 0.900000 Total energy: -26.905885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.905885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.905885 (E_RNA) where: Base-Base interactions energy: -7.785 where: short stacking energy: -7.785 Base-Backbone interact. energy: -0.000 local terms energy: -19.121009 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.731 flat angles P-C4'-P energy: -2.825 tors. eta vs tors. theta energy: -1.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -27.545512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.545512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.545512 (E_RNA) where: Base-Base interactions energy: -11.214 where: short stacking energy: -11.214 Base-Backbone interact. energy: -0.000 local terms energy: -16.331755 where: bonds (distance) C4'-P energy: -3.417 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.475 flat angles P-C4'-P energy: -2.609 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: 3, replica: 4 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -27.477358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.477358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.477358 (E_RNA) where: Base-Base interactions energy: -7.845 where: short stacking energy: -7.845 Base-Backbone interact. energy: -0.000 local terms energy: -19.632653 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -3.870 flat angles P-C4'-P energy: -3.739 tors. eta vs tors. theta energy: -2.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -28.691222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.691222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.691222 (E_RNA) where: Base-Base interactions energy: -10.014 where: short stacking energy: -10.014 Base-Backbone interact. energy: -0.000 local terms energy: -18.677424 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.054 flat angles C4'-P-C4' energy: -3.320 flat angles P-C4'-P energy: -3.289 tors. eta vs tors. theta energy: -4.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -22.321357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.321357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.321357 (E_RNA) where: Base-Base interactions energy: -5.897 where: short stacking energy: -5.897 Base-Backbone interact. energy: -0.008 local terms energy: -16.416217 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -1.847 flat angles P-C4'-P energy: -2.705 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: 6, replica: 7 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -22.218463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.218463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.218463 (E_RNA) where: Base-Base interactions energy: -5.537 where: short stacking energy: -5.537 Base-Backbone interact. energy: -0.002 local terms energy: -16.680118 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -2.285 flat angles C4'-P-C4' energy: -1.756 flat angles P-C4'-P energy: -3.453 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: 8 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -24.073244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.073244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.073244 (E_RNA) where: Base-Base interactions energy: -7.811 where: short stacking energy: -7.811 Base-Backbone interact. energy: -0.059 local terms energy: -16.202888 where: bonds (distance) C4'-P energy: -3.823 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -3.917 flat angles P-C4'-P energy: -2.366 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: 6 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -21.663760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.663760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.663760 (E_RNA) where: Base-Base interactions energy: -6.983 where: short stacking energy: -6.983 Base-Backbone interact. energy: -0.000 local terms energy: -14.680975 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.542 flat angles P-C4'-P energy: 0.195 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: 9, replica: 10 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -22.727369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.727369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.727369 (E_RNA) where: Base-Base interactions energy: -5.966 where: short stacking energy: -5.966 Base-Backbone interact. energy: -0.000 local terms energy: -16.761686 where: bonds (distance) C4'-P energy: -3.277 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.956 flat angles P-C4'-P energy: -2.037 tors. eta vs tors. theta energy: -2.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -21.921895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.921895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.921895 (E_RNA) where: Base-Base interactions energy: -4.096 where: short stacking energy: -4.096 Base-Backbone interact. energy: -0.081 local terms energy: -17.744889 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.839 flat angles P-C4'-P energy: -3.610 tors. eta vs tors. theta energy: 0.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -31.587392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.587392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.587392 (E_RNA) where: Base-Base interactions energy: -12.157 where: short stacking energy: -12.157 Base-Backbone interact. energy: -0.000 local terms energy: -19.430630 where: bonds (distance) C4'-P energy: -3.194 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.500 flat angles P-C4'-P energy: -1.889 tors. eta vs tors. theta energy: -4.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -23.739306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.739306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.739306 (E_RNA) where: Base-Base interactions energy: -7.849 where: short stacking energy: -7.849 Base-Backbone interact. energy: -1.052 local terms energy: -14.837917 where: bonds (distance) C4'-P energy: -2.511 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.314 flat angles P-C4'-P energy: -2.164 tors. eta vs tors. theta energy: -0.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -24.337746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.337746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.337746 (E_RNA) where: Base-Base interactions energy: -8.344 where: short stacking energy: -8.344 Base-Backbone interact. energy: -0.008 local terms energy: -15.985034 where: bonds (distance) C4'-P energy: -3.869 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.564 flat angles P-C4'-P energy: -0.823 tors. eta vs tors. theta energy: -1.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -26.012818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.012818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.012818 (E_RNA) where: Base-Base interactions energy: -7.355 where: short stacking energy: -7.355 Base-Backbone interact. energy: -0.000 local terms energy: -18.657570 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -3.815 flat angles P-C4'-P energy: -2.936 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: 5, replica: 7 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -28.802571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.802571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.802571 (E_RNA) where: Base-Base interactions energy: -10.354 where: short stacking energy: -10.354 Base-Backbone interact. energy: -0.000 local terms energy: -18.448835 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.138 flat angles P-C4'-P energy: -0.985 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: 6, replica: 3 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -21.439000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.439000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.439000 (E_RNA) where: Base-Base interactions energy: -7.700 where: short stacking energy: -7.700 Base-Backbone interact. energy: -0.020 local terms energy: -13.719106 where: bonds (distance) C4'-P energy: -1.935 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.294 flat angles P-C4'-P energy: -3.587 tors. eta vs tors. theta energy: 0.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -24.433632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.433632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.433632 (E_RNA) where: Base-Base interactions energy: -11.410 where: short stacking energy: -11.410 Base-Backbone interact. energy: -0.000 local terms energy: -13.023475 where: bonds (distance) C4'-P energy: -1.882 bonds (distance) P-C4' energy: -3.991 flat angles C4'-P-C4' energy: -1.756 flat angles P-C4'-P energy: -1.414 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: 8, replica: 8 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -19.909106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.909106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.909106 (E_RNA) where: Base-Base interactions energy: -7.260 where: short stacking energy: -7.260 Base-Backbone interact. energy: -0.018 local terms energy: -12.631562 where: bonds (distance) C4'-P energy: -3.459 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -2.567 flat angles P-C4'-P energy: -2.261 tors. eta vs tors. theta energy: 0.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -21.052220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.052220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.052220 (E_RNA) where: Base-Base interactions energy: -3.888 where: short stacking energy: -3.888 Base-Backbone interact. energy: -0.000 local terms energy: -17.164294 where: bonds (distance) C4'-P energy: -3.708 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.410 flat angles P-C4'-P energy: -3.950 tors. eta vs tors. theta energy: -1.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -23.551733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.551733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.551733 (E_RNA) where: Base-Base interactions energy: -5.238 where: short stacking energy: -5.238 Base-Backbone interact. energy: -0.000 local terms energy: -18.313254 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.890 flat angles P-C4'-P energy: -2.009 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: 1, replica: 2 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -31.404238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.404238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.404238 (E_RNA) where: Base-Base interactions energy: -12.094 where: short stacking energy: -12.094 Base-Backbone interact. energy: -0.000 local terms energy: -19.310081 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.697 flat angles P-C4'-P energy: -3.404 tors. eta vs tors. theta energy: -1.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -30.744290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.744290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.744290 (E_RNA) where: Base-Base interactions energy: -10.087 where: short stacking energy: -10.087 Base-Backbone interact. energy: -0.000 local terms energy: -20.657178 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.707 flat angles P-C4'-P energy: -3.814 tors. eta vs tors. theta energy: -4.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -29.459974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.459974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.459974 (E_RNA) where: Base-Base interactions energy: -8.464 where: short stacking energy: -8.464 Base-Backbone interact. energy: -0.000 local terms energy: -20.996192 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.152 flat angles P-C4'-P energy: -2.431 tors. eta vs tors. theta energy: -4.775 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: 4 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -20.931567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.931567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.931567 (E_RNA) where: Base-Base interactions energy: -5.484 where: short stacking energy: -5.484 Base-Backbone interact. energy: -0.002 local terms energy: -15.446429 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -4.234 flat angles P-C4'-P energy: -3.161 tors. eta vs tors. theta energy: 0.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -23.852121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.852121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.852121 (E_RNA) where: Base-Base interactions energy: -7.695 where: short stacking energy: -7.695 Base-Backbone interact. energy: -0.037 local terms energy: -16.119208 where: bonds (distance) C4'-P energy: -4.341 bonds (distance) P-C4' energy: -3.177 flat angles C4'-P-C4' energy: -4.695 flat angles P-C4'-P energy: -2.142 tors. eta vs tors. theta energy: -1.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -21.671126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.671126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.671126 (E_RNA) where: Base-Base interactions energy: -4.214 where: short stacking energy: -4.214 Base-Backbone interact. energy: -0.000 local terms energy: -17.456740 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.367 flat angles P-C4'-P energy: -3.477 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: 3 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -22.657912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.657912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.657912 (E_RNA) where: Base-Base interactions energy: -8.159 where: short stacking energy: -8.159 Base-Backbone interact. energy: -0.000 local terms energy: -14.499319 where: bonds (distance) C4'-P energy: -3.016 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -2.250 flat angles P-C4'-P energy: -1.567 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: 8, replica: 5 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -19.355568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.355568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.355568 (E_RNA) where: Base-Base interactions energy: -6.372 where: short stacking energy: -6.372 Base-Backbone interact. energy: -0.008 local terms energy: -12.975642 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -3.790 flat angles C4'-P-C4' energy: -4.360 flat angles P-C4'-P energy: 0.138 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: 9, replica: 8 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -21.214887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.214887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.214887 (E_RNA) where: Base-Base interactions energy: -7.044 where: short stacking energy: -7.044 Base-Backbone interact. energy: -0.001 local terms energy: -14.170149 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -2.599 flat angles P-C4'-P energy: -1.891 tors. eta vs tors. theta energy: -0.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -18.273708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.273708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.273708 (E_RNA) where: Base-Base interactions energy: -3.925 where: short stacking energy: -3.925 Base-Backbone interact. energy: -0.000 local terms energy: -14.348560 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -2.733 flat angles P-C4'-P energy: -2.531 tors. eta vs tors. theta energy: 0.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -29.882641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.882641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.882641 (E_RNA) where: Base-Base interactions energy: -10.504 where: short stacking energy: -10.504 Base-Backbone interact. energy: -0.000 local terms energy: -19.378510 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.368 flat angles P-C4'-P energy: -3.976 tors. eta vs tors. theta energy: -1.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -24.924709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.924709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.924709 (E_RNA) where: Base-Base interactions energy: -7.249 where: short stacking energy: -7.249 Base-Backbone interact. energy: -0.003 local terms energy: -17.672512 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.953 flat angles P-C4'-P energy: -3.044 tors. eta vs tors. theta energy: -1.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -26.867858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.867858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.867858 (E_RNA) where: Base-Base interactions energy: -10.584 where: short stacking energy: -10.584 Base-Backbone interact. energy: -0.000 local terms energy: -16.283790 where: bonds (distance) C4'-P energy: -1.799 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.453 flat angles P-C4'-P energy: -3.240 tors. eta vs tors. theta energy: -1.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -24.836168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.836168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.836168 (E_RNA) where: Base-Base interactions energy: -6.394 where: short stacking energy: -6.394 Base-Backbone interact. energy: -0.000 local terms energy: -18.441749 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.463 flat angles P-C4'-P energy: -2.026 tors. eta vs tors. theta energy: -3.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -27.112602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.112602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.112602 (E_RNA) where: Base-Base interactions energy: -6.198 where: short stacking energy: -6.198 Base-Backbone interact. energy: -0.000 local terms energy: -20.914160 where: bonds (distance) C4'-P energy: -4.233 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.479 flat angles P-C4'-P energy: -3.044 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: 7 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -21.303303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.303303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.303303 (E_RNA) where: Base-Base interactions energy: -7.539 where: short stacking energy: -7.539 Base-Backbone interact. energy: -0.059 local terms energy: -13.704816 where: bonds (distance) C4'-P energy: -2.121 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -2.462 flat angles P-C4'-P energy: -3.453 tors. eta vs tors. theta energy: -0.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -23.734679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.734679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.734679 (E_RNA) where: Base-Base interactions energy: -7.109 where: short stacking energy: -7.109 Base-Backbone interact. energy: 0.049 local terms energy: -16.674679 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.180 flat angles C4'-P-C4' energy: -4.644 flat angles P-C4'-P energy: -1.111 tors. eta vs tors. theta energy: -2.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -20.576564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.576564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.576564 (E_RNA) where: Base-Base interactions energy: -4.684 where: short stacking energy: -4.684 Base-Backbone interact. energy: -0.004 local terms energy: -15.888287 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.078 flat angles P-C4'-P energy: -2.569 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: 9, replica: 10 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -21.681883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.681883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.681883 (E_RNA) where: Base-Base interactions energy: -4.092 where: short stacking energy: -4.092 Base-Backbone interact. energy: -0.010 local terms energy: -17.579384 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.771 flat angles P-C4'-P energy: -0.815 tors. eta vs tors. theta energy: -2.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -22.551626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.551626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.551626 (E_RNA) where: Base-Base interactions energy: -7.034 where: short stacking energy: -7.034 Base-Backbone interact. energy: -0.000 local terms energy: -15.517395 where: bonds (distance) C4'-P energy: -3.161 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.935 flat angles P-C4'-P energy: -1.443 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: 1, replica: 1 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -30.226898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.226898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.226898 (E_RNA) where: Base-Base interactions energy: -8.740 where: short stacking energy: -8.740 Base-Backbone interact. energy: -0.001 local terms energy: -21.485415 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.697 flat angles P-C4'-P energy: -3.537 tors. eta vs tors. theta energy: -3.628 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: 2, replica: 4 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -29.722283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.722283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.722283 (E_RNA) where: Base-Base interactions energy: -11.954 where: short stacking energy: -11.954 Base-Backbone interact. energy: -0.000 local terms energy: -17.768577 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -3.903 flat angles P-C4'-P energy: -3.692 tors. eta vs tors. theta energy: -2.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -27.156584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.156584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.156584 (E_RNA) where: Base-Base interactions energy: -7.945 where: short stacking energy: -7.945 Base-Backbone interact. energy: -0.000 local terms energy: -19.211726 where: bonds (distance) C4'-P energy: -3.425 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.666 flat angles P-C4'-P energy: -3.525 tors. eta vs tors. theta energy: -2.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -27.611158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.611158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.611158 (E_RNA) where: Base-Base interactions energy: -11.884 where: short stacking energy: -11.884 Base-Backbone interact. energy: -0.000 local terms energy: -15.727434 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.044 flat angles C4'-P-C4' energy: -3.508 flat angles P-C4'-P energy: -1.318 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: 5, replica: 9 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -25.698312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.698312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.698312 (E_RNA) where: Base-Base interactions energy: -10.196 where: short stacking energy: -10.196 Base-Backbone interact. energy: -0.006 local terms energy: -15.496394 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.186 flat angles P-C4'-P energy: -2.363 tors. eta vs tors. theta energy: -0.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -25.541906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.541906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.541906 (E_RNA) where: Base-Base interactions energy: -8.000 where: short stacking energy: -8.000 Base-Backbone interact. energy: -0.000 local terms energy: -17.541518 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.092 flat angles P-C4'-P energy: -1.930 tors. eta vs tors. theta energy: -3.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -22.526760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.526760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.526760 (E_RNA) where: Base-Base interactions energy: -5.237 where: short stacking energy: -5.237 Base-Backbone interact. energy: -0.000 local terms energy: -17.289380 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.466 flat angles P-C4'-P energy: -2.087 tors. eta vs tors. theta energy: -2.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -22.346735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.346735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.346735 (E_RNA) where: Base-Base interactions energy: -5.383 where: short stacking energy: -5.383 Base-Backbone interact. energy: -0.009 local terms energy: -16.954049 where: bonds (distance) C4'-P energy: -3.335 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.608 flat angles P-C4'-P energy: -2.886 tors. eta vs tors. theta energy: -1.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -24.182897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.182897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.182897 (E_RNA) where: Base-Base interactions energy: -6.820 where: short stacking energy: -6.820 Base-Backbone interact. energy: -0.001 local terms energy: -17.361686 where: bonds (distance) C4'-P energy: -2.804 bonds (distance) P-C4' energy: -3.532 flat angles C4'-P-C4' energy: -4.536 flat angles P-C4'-P energy: -2.809 tors. eta vs tors. theta energy: -3.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -22.975364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.975364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.975364 (E_RNA) where: Base-Base interactions energy: -5.828 where: short stacking energy: -5.828 Base-Backbone interact. energy: -0.000 local terms energy: -17.146973 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -4.040 flat angles P-C4'-P energy: -1.868 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: 1, replica: 4 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -28.001809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.001809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.001809 (E_RNA) where: Base-Base interactions energy: -10.479 where: short stacking energy: -10.479 Base-Backbone interact. energy: -0.000 local terms energy: -17.522906 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -3.585 flat angles C4'-P-C4' energy: -4.784 flat angles P-C4'-P energy: -2.623 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: 1 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -23.001976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.001976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.001976 (E_RNA) where: Base-Base interactions energy: -8.508 where: short stacking energy: -8.508 Base-Backbone interact. energy: -0.001 local terms energy: -14.492934 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -3.518 flat angles C4'-P-C4' energy: -2.754 flat angles P-C4'-P energy: -2.598 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: 3, replica: 6 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -31.327880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.327880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.327880 (E_RNA) where: Base-Base interactions energy: -12.201 where: short stacking energy: -12.201 Base-Backbone interact. energy: -0.000 local terms energy: -19.126754 where: bonds (distance) C4'-P energy: -4.341 bonds (distance) P-C4' energy: -3.039 flat angles C4'-P-C4' energy: -4.574 flat angles P-C4'-P energy: -3.012 tors. eta vs tors. theta energy: -4.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -25.854959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.854959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.854959 (E_RNA) where: Base-Base interactions energy: -6.939 where: short stacking energy: -6.939 Base-Backbone interact. energy: -0.000 local terms energy: -18.916018 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.513 flat angles P-C4'-P energy: -2.964 tors. eta vs tors. theta energy: -2.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -22.344198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.344198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.344198 (E_RNA) where: Base-Base interactions energy: -7.582 where: short stacking energy: -7.582 Base-Backbone interact. energy: -0.012 local terms energy: -14.750369 where: bonds (distance) C4'-P energy: -3.045 bonds (distance) P-C4' energy: -3.981 flat angles C4'-P-C4' energy: -4.352 flat angles P-C4'-P energy: -3.318 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: 6, replica: 9 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -24.935291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.935291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.935291 (E_RNA) where: Base-Base interactions energy: -6.561 where: short stacking energy: -6.561 Base-Backbone interact. energy: -0.000 local terms energy: -18.374158 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.261 flat angles P-C4'-P energy: -3.911 tors. eta vs tors. theta energy: -0.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -25.639311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.639311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.639311 (E_RNA) where: Base-Base interactions energy: -7.436 where: short stacking energy: -7.436 Base-Backbone interact. energy: -0.015 local terms energy: -18.187577 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.132 flat angles P-C4'-P energy: -3.580 tors. eta vs tors. theta energy: -2.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -24.215243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.215243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.215243 (E_RNA) where: Base-Base interactions energy: -8.274 where: short stacking energy: -8.274 Base-Backbone interact. energy: -0.000 local terms energy: -15.941468 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -3.748 flat angles C4'-P-C4' energy: -3.731 flat angles P-C4'-P energy: -1.895 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: 9, replica: 3 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -23.639063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.639063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.639063 (E_RNA) where: Base-Base interactions energy: -6.445 where: short stacking energy: -6.445 Base-Backbone interact. energy: -0.000 local terms energy: -17.193796 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.076 flat angles P-C4'-P energy: -2.649 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: 10, replica: 8 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -19.725361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.725361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.725361 (E_RNA) where: Base-Base interactions energy: -3.339 where: short stacking energy: -3.339 Base-Backbone interact. energy: -0.000 local terms energy: -16.386312 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.887 flat angles P-C4'-P energy: -2.376 tors. eta vs tors. theta energy: -0.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -30.411905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.411905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.411905 (E_RNA) where: Base-Base interactions energy: -11.421 where: short stacking energy: -11.421 Base-Backbone interact. energy: -0.000 local terms energy: -18.991248 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -4.661 flat angles P-C4'-P energy: -2.519 tors. eta vs tors. theta energy: -3.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -26.411595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.411595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.411595 (E_RNA) where: Base-Base interactions energy: -10.583 where: short stacking energy: -10.583 Base-Backbone interact. energy: -0.000 local terms energy: -15.828137 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -2.497 flat angles P-C4'-P energy: -2.075 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: 3, replica: 1 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -22.070656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.070656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.070656 (E_RNA) where: Base-Base interactions energy: -3.445 where: short stacking energy: -3.445 Base-Backbone interact. energy: -0.000 local terms energy: -18.625320 where: bonds (distance) C4'-P energy: -4.386 bonds (distance) P-C4' energy: -4.336 flat angles C4'-P-C4' energy: -3.642 flat angles P-C4'-P energy: -3.027 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: 5 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -24.340045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.340045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.340045 (E_RNA) where: Base-Base interactions energy: -7.764 where: short stacking energy: -7.764 Base-Backbone interact. energy: -0.000 local terms energy: -16.575639 where: bonds (distance) C4'-P energy: -3.301 bonds (distance) P-C4' energy: -3.981 flat angles C4'-P-C4' energy: -4.102 flat angles P-C4'-P energy: -2.477 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: 2 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -22.275617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.275617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.275617 (E_RNA) where: Base-Base interactions energy: -8.023 where: short stacking energy: -8.023 Base-Backbone interact. energy: -0.000 local terms energy: -14.251827 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.207 flat angles P-C4'-P energy: -1.680 tors. eta vs tors. theta energy: 0.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -25.934907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.934907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.934907 (E_RNA) where: Base-Base interactions energy: -11.484 where: short stacking energy: -11.484 Base-Backbone interact. energy: -0.000 local terms energy: -14.450473 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -2.194 flat angles P-C4'-P energy: -2.260 tors. eta vs tors. theta energy: -0.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -19.213106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.213106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.213106 (E_RNA) where: Base-Base interactions energy: -3.335 where: short stacking energy: -3.335 Base-Backbone interact. energy: -0.028 local terms energy: -15.849587 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.865 flat angles P-C4'-P energy: -3.050 tors. eta vs tors. theta energy: -0.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -21.409914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.409914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.409914 (E_RNA) where: Base-Base interactions energy: -6.940 where: short stacking energy: -6.940 Base-Backbone interact. energy: -0.006 local terms energy: -14.464191 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.578 flat angles P-C4'-P energy: -2.040 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: 9, replica: 7 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -20.472816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.472816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.472816 (E_RNA) where: Base-Base interactions energy: -3.215 where: short stacking energy: -3.215 Base-Backbone interact. energy: -0.000 local terms energy: -17.258052 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.943 flat angles P-C4'-P energy: -3.365 tors. eta vs tors. theta energy: -0.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -19.592982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.592982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.592982 (E_RNA) where: Base-Base interactions energy: -4.114 where: short stacking energy: -4.114 Base-Backbone interact. energy: -0.009 local terms energy: -15.469286 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -3.560 flat angles C4'-P-C4' energy: -2.718 flat angles P-C4'-P energy: -3.149 tors. eta vs tors. theta energy: -1.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -30.370809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.370809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.370809 (E_RNA) where: Base-Base interactions energy: -10.571 where: short stacking energy: -10.571 Base-Backbone interact. energy: -0.000 local terms energy: -19.799578 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.593 flat angles P-C4'-P energy: -3.626 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: 4 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -21.386636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.386636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.386636 (E_RNA) where: Base-Base interactions energy: -6.781 where: short stacking energy: -6.781 Base-Backbone interact. energy: -0.002 local terms energy: -14.603873 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.510 flat angles P-C4'-P energy: -1.510 tors. eta vs tors. theta energy: -0.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -26.378235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.378235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.378235 (E_RNA) where: Base-Base interactions energy: -6.735 where: short stacking energy: -6.735 Base-Backbone interact. energy: -0.000 local terms energy: -19.642456 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.371 flat angles P-C4'-P energy: -3.076 tors. eta vs tors. theta energy: -3.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -22.645561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.645561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.645561 (E_RNA) where: Base-Base interactions energy: -8.052 where: short stacking energy: -8.052 Base-Backbone interact. energy: -0.096 local terms energy: -14.497666 where: bonds (distance) C4'-P energy: -3.318 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.415 flat angles P-C4'-P energy: -1.986 tors. eta vs tors. theta energy: -0.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -30.304220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.304220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.304220 (E_RNA) where: Base-Base interactions energy: -11.645 where: short stacking energy: -11.645 Base-Backbone interact. energy: -0.000 local terms energy: -18.659488 where: bonds (distance) C4'-P energy: -2.920 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -4.780 flat angles P-C4'-P energy: -3.525 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: 6, replica: 2 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -23.815790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.815790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.815790 (E_RNA) where: Base-Base interactions energy: -6.891 where: short stacking energy: -6.891 Base-Backbone interact. energy: -0.066 local terms energy: -16.858012 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.068 flat angles P-C4'-P energy: -3.019 tors. eta vs tors. theta energy: -0.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -22.583862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.583862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.583862 (E_RNA) where: Base-Base interactions energy: -3.265 where: short stacking energy: -3.265 Base-Backbone interact. energy: -0.003 local terms energy: -19.315779 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.146 flat angles P-C4'-P energy: -3.814 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: 3 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -22.993959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.993959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.993959 (E_RNA) where: Base-Base interactions energy: -7.305 where: short stacking energy: -7.305 Base-Backbone interact. energy: -0.001 local terms energy: -15.688435 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -2.881 flat angles P-C4'-P energy: -3.020 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: 9, replica: 8 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -23.392203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.392203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.392203 (E_RNA) where: Base-Base interactions energy: -6.334 where: short stacking energy: -6.334 Base-Backbone interact. energy: -0.060 local terms energy: -16.998555 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -4.040 flat angles P-C4'-P energy: -3.023 tors. eta vs tors. theta energy: -1.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -23.244719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.244719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.244719 (E_RNA) where: Base-Base interactions energy: -6.855 where: short stacking energy: -6.855 Base-Backbone interact. energy: -0.006 local terms energy: -16.383131 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -1.824 flat angles C4'-P-C4' energy: -4.642 flat angles P-C4'-P energy: -3.085 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: 1, replica: 6 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -25.526843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.526843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.526843 (E_RNA) where: Base-Base interactions energy: -7.860 where: short stacking energy: -7.860 Base-Backbone interact. energy: -0.000 local terms energy: -17.666919 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.555 flat angles P-C4'-P energy: -2.556 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: 2, replica: 5 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -26.692347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.692347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.692347 (E_RNA) where: Base-Base interactions energy: -9.285 where: short stacking energy: -9.803 Base-Backbone interact. energy: -0.099 local terms energy: -17.307719 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.755 flat angles P-C4'-P energy: -3.201 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: 3, replica: 4 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -25.775778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.775778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.775778 (E_RNA) where: Base-Base interactions energy: -10.311 where: short stacking energy: -10.311 Base-Backbone interact. energy: -0.000 local terms energy: -15.464744 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -3.096 flat angles P-C4'-P energy: -1.903 tors. eta vs tors. theta energy: -2.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -23.038215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.038215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.038215 (E_RNA) where: Base-Base interactions energy: -7.650 where: short stacking energy: -7.650 Base-Backbone interact. energy: -0.000 local terms energy: -15.387880 where: bonds (distance) C4'-P energy: -3.264 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -3.898 flat angles P-C4'-P energy: -0.578 tors. eta vs tors. theta energy: -2.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -24.216989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.216989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.216989 (E_RNA) where: Base-Base interactions energy: -6.508 where: short stacking energy: -7.008 Base-Backbone interact. energy: -0.100 local terms energy: -17.609499 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -2.872 flat angles P-C4'-P energy: -3.825 tors. eta vs tors. theta energy: -2.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -23.010113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.010113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.010113 (E_RNA) where: Base-Base interactions energy: -7.516 where: short stacking energy: -7.516 Base-Backbone interact. energy: -0.000 local terms energy: -15.493475 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -3.944 flat angles C4'-P-C4' energy: -3.447 flat angles P-C4'-P energy: -3.405 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: 7, replica: 2 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -21.807801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.807801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.807801 (E_RNA) where: Base-Base interactions energy: -6.729 where: short stacking energy: -6.912 Base-Backbone interact. energy: -0.075 local terms energy: -15.003880 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -3.134 flat angles C4'-P-C4' energy: -4.271 flat angles P-C4'-P energy: -2.590 tors. eta vs tors. theta energy: -0.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -25.124825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.124825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.124825 (E_RNA) where: Base-Base interactions energy: -6.438 where: short stacking energy: -6.438 Base-Backbone interact. energy: -0.095 local terms energy: -18.592615 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.152 flat angles P-C4'-P energy: -3.319 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: 9, replica: 3 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -23.029323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.029323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.029323 (E_RNA) where: Base-Base interactions energy: -5.397 where: short stacking energy: -5.397 Base-Backbone interact. energy: -0.000 local terms energy: -17.632522 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -3.957 flat angles P-C4'-P energy: -2.543 tors. eta vs tors. theta energy: -2.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -21.721768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.721768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.721768 (E_RNA) where: Base-Base interactions energy: -6.805 where: short stacking energy: -6.805 Base-Backbone interact. energy: -0.000 local terms energy: -14.917208 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.472 flat angles P-C4'-P energy: -1.060 tors. eta vs tors. theta energy: 0.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -30.826965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.826965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.826965 (E_RNA) where: Base-Base interactions energy: -10.210 where: short stacking energy: -10.210 Base-Backbone interact. energy: -0.000 local terms energy: -20.617175 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.327 flat angles P-C4'-P energy: -3.407 tors. eta vs tors. theta energy: -4.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -29.662796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.662796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.662796 (E_RNA) where: Base-Base interactions energy: -11.059 where: short stacking energy: -11.059 Base-Backbone interact. energy: -0.000 local terms energy: -18.603881 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -2.264 flat angles P-C4'-P energy: -3.287 tors. eta vs tors. theta energy: -3.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -29.373771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.373771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.373771 (E_RNA) where: Base-Base interactions energy: -10.241 where: short stacking energy: -10.241 Base-Backbone interact. energy: -0.001 local terms energy: -19.132293 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.782 flat angles P-C4'-P energy: -1.650 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: 4, replica: 4 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -26.085221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.085221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.085221 (E_RNA) where: Base-Base interactions energy: -10.173 where: short stacking energy: -10.173 Base-Backbone interact. energy: -0.359 local terms energy: -15.553713 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -4.572 flat angles C4'-P-C4' energy: -1.948 flat angles P-C4'-P energy: -3.306 tors. eta vs tors. theta energy: -2.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -23.559520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.559520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.559520 (E_RNA) where: Base-Base interactions energy: -7.309 where: short stacking energy: -7.309 Base-Backbone interact. energy: -0.028 local terms energy: -16.221783 where: bonds (distance) C4'-P energy: -2.395 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.523 flat angles P-C4'-P energy: -3.988 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: 6, replica: 9 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -23.304278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.304278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.304278 (E_RNA) where: Base-Base interactions energy: -7.247 where: short stacking energy: -7.247 Base-Backbone interact. energy: -0.000 local terms energy: -16.057393 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.858 flat angles P-C4'-P energy: -3.681 tors. eta vs tors. theta energy: 0.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -24.567417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.567417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.567417 (E_RNA) where: Base-Base interactions energy: -4.572 where: short stacking energy: -4.572 Base-Backbone interact. energy: -0.000 local terms energy: -19.994908 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.235 flat angles P-C4'-P energy: -2.949 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: 8, replica: 2 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -23.613789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.613789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.613789 (E_RNA) where: Base-Base interactions energy: -7.257 where: short stacking energy: -7.257 Base-Backbone interact. energy: -0.000 local terms energy: -16.356236 where: bonds (distance) C4'-P energy: -3.264 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.976 flat angles P-C4'-P energy: -3.320 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: 9, replica: 7 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -20.488784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.488784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.488784 (E_RNA) where: Base-Base interactions energy: -5.197 where: short stacking energy: -5.197 Base-Backbone interact. energy: -0.002 local terms energy: -15.289344 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.485 flat angles P-C4'-P energy: -1.563 tors. eta vs tors. theta energy: -0.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -22.965825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.965825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.965825 (E_RNA) where: Base-Base interactions energy: -6.499 where: short stacking energy: -6.499 Base-Backbone interact. energy: -0.000 local terms energy: -16.466944 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -2.255 flat angles P-C4'-P energy: -3.748 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: 5 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -26.498153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.498153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.498153 (E_RNA) where: Base-Base interactions energy: -7.917 where: short stacking energy: -7.917 Base-Backbone interact. energy: -0.002 local terms energy: -18.579180 where: bonds (distance) C4'-P energy: -3.861 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -3.273 flat angles P-C4'-P energy: -3.555 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: 2, replica: 10 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -26.608083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.608083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.608083 (E_RNA) where: Base-Base interactions energy: -7.798 where: short stacking energy: -7.798 Base-Backbone interact. energy: -0.000 local terms energy: -18.810331 where: bonds (distance) C4'-P energy: -3.285 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.407 flat angles P-C4'-P energy: -3.444 tors. eta vs tors. theta energy: -3.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -25.637947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.637947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.637947 (E_RNA) where: Base-Base interactions energy: -9.141 where: short stacking energy: -9.141 Base-Backbone interact. energy: -0.001 local terms energy: -16.495534 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.530 flat angles P-C4'-P energy: -1.954 tors. eta vs tors. theta energy: -0.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -30.266394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.266394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.266394 (E_RNA) where: Base-Base interactions energy: -10.936 where: short stacking energy: -10.936 Base-Backbone interact. energy: -0.000 local terms energy: -19.330059 where: bonds (distance) C4'-P energy: -2.299 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.641 flat angles P-C4'-P energy: -3.383 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: 5, replica: 1 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -29.437774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.437774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.437774 (E_RNA) where: Base-Base interactions energy: -10.210 where: short stacking energy: -10.210 Base-Backbone interact. energy: -0.000 local terms energy: -19.227428 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.575 flat angles C4'-P-C4' energy: -3.360 flat angles P-C4'-P energy: -3.587 tors. eta vs tors. theta energy: -3.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -24.704670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.704670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.704670 (E_RNA) where: Base-Base interactions energy: -7.806 where: short stacking energy: -7.806 Base-Backbone interact. energy: -0.000 local terms energy: -16.898724 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -3.606 flat angles P-C4'-P energy: -3.076 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: 7, replica: 9 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -20.041426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.041426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.041426 (E_RNA) where: Base-Base interactions energy: -4.037 where: short stacking energy: -4.037 Base-Backbone interact. energy: -0.093 local terms energy: -15.911033 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.137 flat angles C4'-P-C4' energy: -3.654 flat angles P-C4'-P energy: -2.985 tors. eta vs tors. theta energy: -1.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -25.464305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.464305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.464305 (E_RNA) where: Base-Base interactions energy: -7.657 where: short stacking energy: -7.657 Base-Backbone interact. energy: -0.173 local terms energy: -17.633947 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.509 flat angles P-C4'-P energy: -3.034 tors. eta vs tors. theta energy: -0.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -20.746006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.746006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.746006 (E_RNA) where: Base-Base interactions energy: -4.664 where: short stacking energy: -4.664 Base-Backbone interact. energy: -0.019 local terms energy: -16.062504 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -3.427 flat angles P-C4'-P energy: -2.894 tors. eta vs tors. theta energy: -0.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -22.189160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.189160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.189160 (E_RNA) where: Base-Base interactions energy: -5.808 where: short stacking energy: -5.808 Base-Backbone interact. energy: -0.021 local terms energy: -16.359315 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -4.506 flat angles P-C4'-P energy: -2.407 tors. eta vs tors. theta energy: -1.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -28.209211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.209211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.209211 (E_RNA) where: Base-Base interactions energy: -8.472 where: short stacking energy: -8.472 Base-Backbone interact. energy: -0.100 local terms energy: -19.637487 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.806 flat angles P-C4'-P energy: -3.799 tors. eta vs tors. theta energy: -2.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -26.124915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.124915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.124915 (E_RNA) where: Base-Base interactions energy: -9.613 where: short stacking energy: -9.613 Base-Backbone interact. energy: -0.000 local terms energy: -16.511485 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.676 flat angles P-C4'-P energy: -1.068 tors. eta vs tors. theta energy: -2.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -25.338339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.338339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.338339 (E_RNA) where: Base-Base interactions energy: -5.719 where: short stacking energy: -5.719 Base-Backbone interact. energy: 0.353 local terms energy: -19.972138 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.516 flat angles P-C4'-P energy: -3.329 tors. eta vs tors. theta energy: -3.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -25.075109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.075109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.075109 (E_RNA) where: Base-Base interactions energy: -5.498 where: short stacking energy: -5.498 Base-Backbone interact. energy: -0.000 local terms energy: -19.577282 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.963 flat angles P-C4'-P energy: -1.938 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: 5, replica: 8 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -22.171122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.171122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.171122 (E_RNA) where: Base-Base interactions energy: -6.754 where: short stacking energy: -6.754 Base-Backbone interact. energy: -0.001 local terms energy: -15.416192 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -2.494 flat angles P-C4'-P energy: -3.454 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: 6, replica: 1 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -24.578867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.578867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.578867 (E_RNA) where: Base-Base interactions energy: -9.082 where: short stacking energy: -9.082 Base-Backbone interact. energy: -0.000 local terms energy: -15.496590 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -2.194 flat angles P-C4'-P energy: -2.376 tors. eta vs tors. theta energy: -1.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -25.334798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.334798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.334798 (E_RNA) where: Base-Base interactions energy: -8.365 where: short stacking energy: -8.365 Base-Backbone interact. energy: -0.000 local terms energy: -16.970272 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.121 flat angles P-C4'-P energy: -3.399 tors. eta vs tors. theta energy: -1.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -22.421451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.421451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.421451 (E_RNA) where: Base-Base interactions energy: -3.910 where: short stacking energy: -3.910 Base-Backbone interact. energy: -0.000 local terms energy: -18.511640 where: bonds (distance) C4'-P energy: -2.804 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.748 flat angles P-C4'-P energy: -3.607 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: 78 Temperature: 1.300000 Total energy: -22.748364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.748364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.748364 (E_RNA) where: Base-Base interactions energy: -7.899 where: short stacking energy: -7.899 Base-Backbone interact. energy: -0.022 local terms energy: -14.826744 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.384 flat angles P-C4'-P energy: -0.101 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: 7 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -22.459255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.459255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.459255 (E_RNA) where: Base-Base interactions energy: -6.045 where: short stacking energy: -6.045 Base-Backbone interact. energy: -0.000 local terms energy: -16.413846 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.327 flat angles P-C4'-P energy: -1.575 tors. eta vs tors. theta energy: -2.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -26.765313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.765313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.765313 (E_RNA) where: Base-Base interactions energy: -9.911 where: short stacking energy: -9.911 Base-Backbone interact. energy: -0.099 local terms energy: -16.755828 where: bonds (distance) C4'-P energy: -4.750 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -3.366 flat angles P-C4'-P energy: -3.993 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: 2, replica: 4 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -23.798071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.798071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.798071 (E_RNA) where: Base-Base interactions energy: -5.525 where: short stacking energy: -5.525 Base-Backbone interact. energy: -0.000 local terms energy: -18.272740 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.885 flat angles P-C4'-P energy: -3.659 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: 3, replica: 5 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -28.878407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.878407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.878407 (E_RNA) where: Base-Base interactions energy: -9.832 where: short stacking energy: -9.832 Base-Backbone interact. energy: -0.028 local terms energy: -19.017841 where: bonds (distance) C4'-P energy: -4.270 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.716 flat angles P-C4'-P energy: -3.398 tors. eta vs tors. theta energy: -2.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -23.911781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.911781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.911781 (E_RNA) where: Base-Base interactions energy: -9.158 where: short stacking energy: -9.158 Base-Backbone interact. energy: -0.000 local terms energy: -14.753570 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.292 flat angles P-C4'-P energy: -1.817 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: 5, replica: 6 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -22.235513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.235513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.235513 (E_RNA) where: Base-Base interactions energy: -7.078 where: short stacking energy: -7.078 Base-Backbone interact. energy: 0.197 local terms energy: -15.354305 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.011 flat angles P-C4'-P energy: -2.023 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: 6, replica: 2 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -22.627052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.627052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.627052 (E_RNA) where: Base-Base interactions energy: -8.780 where: short stacking energy: -8.780 Base-Backbone interact. energy: -0.002 local terms energy: -13.844652 where: bonds (distance) C4'-P energy: -3.322 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -4.011 flat angles P-C4'-P energy: -2.363 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: 1 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -21.608875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.608875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.608875 (E_RNA) where: Base-Base interactions energy: -7.694 where: short stacking energy: -7.694 Base-Backbone interact. energy: -0.000 local terms energy: -13.915211 where: bonds (distance) C4'-P energy: -4.171 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.241 flat angles P-C4'-P energy: -1.451 tors. eta vs tors. theta energy: 0.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -21.359220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.359220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.359220 (E_RNA) where: Base-Base interactions energy: -3.635 where: short stacking energy: -3.635 Base-Backbone interact. energy: -0.000 local terms energy: -17.724245 where: bonds (distance) C4'-P energy: -3.053 bonds (distance) P-C4' energy: -3.966 flat angles C4'-P-C4' energy: -4.526 flat angles P-C4'-P energy: -3.474 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: 9, replica: 9 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -20.974796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.974796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.974796 (E_RNA) where: Base-Base interactions energy: -4.183 where: short stacking energy: -4.183 Base-Backbone interact. energy: -0.000 local terms energy: -16.791591 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.911 flat angles P-C4'-P energy: -2.833 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: 10, replica: 7 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -20.390728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.390728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.390728 (E_RNA) where: Base-Base interactions energy: -5.063 where: short stacking energy: -5.063 Base-Backbone interact. energy: -0.001 local terms energy: -15.326855 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -3.124 flat angles P-C4'-P energy: -3.679 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: 1, replica: 4 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -33.339938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.339938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.339938 (E_RNA) where: Base-Base interactions energy: -11.593 where: short stacking energy: -11.593 Base-Backbone interact. energy: -0.000 local terms energy: -21.747143 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.430 flat angles P-C4'-P energy: -3.928 tors. eta vs tors. theta energy: -4.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -26.864207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.864207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.864207 (E_RNA) where: Base-Base interactions energy: -7.305 where: short stacking energy: -7.305 Base-Backbone interact. energy: -0.000 local terms energy: -19.559578 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.820 flat angles P-C4'-P energy: -3.843 tors. eta vs tors. theta energy: -1.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -26.557910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.557910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.557910 (E_RNA) where: Base-Base interactions energy: -8.210 where: short stacking energy: -8.210 Base-Backbone interact. energy: -0.059 local terms energy: -18.288259 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -3.883 flat angles P-C4'-P energy: -2.984 tors. eta vs tors. theta energy: -2.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -26.076779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.076779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.076779 (E_RNA) where: Base-Base interactions energy: -7.521 where: short stacking energy: -7.521 Base-Backbone interact. energy: -0.000 local terms energy: -18.555209 where: bonds (distance) C4'-P energy: -3.487 bonds (distance) P-C4' energy: -4.867 flat angles C4'-P-C4' energy: -4.103 flat angles P-C4'-P energy: -3.559 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: 5, replica: 2 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -23.424738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.424738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.424738 (E_RNA) where: Base-Base interactions energy: -8.880 where: short stacking energy: -8.880 Base-Backbone interact. energy: -0.099 local terms energy: -14.445466 where: bonds (distance) C4'-P energy: -3.939 bonds (distance) P-C4' energy: -3.128 flat angles C4'-P-C4' energy: -4.905 flat angles P-C4'-P energy: -1.416 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: 6, replica: 6 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -24.286036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.286036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.286036 (E_RNA) where: Base-Base interactions energy: -7.808 where: short stacking energy: -7.808 Base-Backbone interact. energy: -0.000 local terms energy: -16.477761 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.805 flat angles P-C4'-P energy: -1.615 tors. eta vs tors. theta energy: -1.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -22.265457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.265457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.265457 (E_RNA) where: Base-Base interactions energy: -4.518 where: short stacking energy: -4.518 Base-Backbone interact. energy: -0.001 local terms energy: -17.746358 where: bonds (distance) C4'-P energy: -3.939 bonds (distance) P-C4' energy: -4.579 flat angles C4'-P-C4' energy: -2.336 flat angles P-C4'-P energy: -3.739 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: 8, replica: 1 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -23.293052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.293052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.293052 (E_RNA) where: Base-Base interactions energy: -7.202 where: short stacking energy: -7.202 Base-Backbone interact. energy: -0.000 local terms energy: -16.091368 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.873 flat angles P-C4'-P energy: -0.894 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: 9, replica: 7 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -25.562327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.562327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.562327 (E_RNA) where: Base-Base interactions energy: -8.085 where: short stacking energy: -8.085 Base-Backbone interact. energy: -0.000 local terms energy: -17.477264 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -4.433 flat angles P-C4'-P energy: -3.710 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: 10, replica: 9 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -19.232070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.232070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.232070 (E_RNA) where: Base-Base interactions energy: -2.911 where: short stacking energy: -2.911 Base-Backbone interact. energy: -0.000 local terms energy: -16.321449 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -4.659 flat angles C4'-P-C4' energy: -4.521 flat angles P-C4'-P energy: -2.115 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: 1, replica: 4 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -31.296575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.296575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.296575 (E_RNA) where: Base-Base interactions energy: -11.187 where: short stacking energy: -11.187 Base-Backbone interact. energy: -0.000 local terms energy: -20.110014 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.502 flat angles P-C4'-P energy: -2.319 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: 2, replica: 8 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -25.381086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.381086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.381086 (E_RNA) where: Base-Base interactions energy: -9.498 where: short stacking energy: -9.498 Base-Backbone interact. energy: 0.347 local terms energy: -16.230011 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -3.818 flat angles C4'-P-C4' energy: -4.007 flat angles P-C4'-P energy: -2.625 tors. eta vs tors. theta energy: -1.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -27.442309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.442309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.442309 (E_RNA) where: Base-Base interactions energy: -8.982 where: short stacking energy: -8.982 Base-Backbone interact. energy: -0.000 local terms energy: -18.460377 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.047 flat angles P-C4'-P energy: -2.129 tors. eta vs tors. theta energy: -4.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -28.263889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.263889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.263889 (E_RNA) where: Base-Base interactions energy: -10.213 where: short stacking energy: -10.213 Base-Backbone interact. energy: -0.000 local terms energy: -18.050878 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -2.899 flat angles P-C4'-P energy: -2.705 tors. eta vs tors. theta energy: -3.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -24.754943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.754943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.754943 (E_RNA) where: Base-Base interactions energy: -7.579 where: short stacking energy: -7.579 Base-Backbone interact. energy: -0.000 local terms energy: -17.176002 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.360 flat angles P-C4'-P energy: -2.526 tors. eta vs tors. theta energy: -1.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -26.863220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.863220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.863220 (E_RNA) where: Base-Base interactions energy: -8.009 where: short stacking energy: -8.009 Base-Backbone interact. energy: -0.000 local terms energy: -18.854274 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.347 flat angles P-C4'-P energy: -1.503 tors. eta vs tors. theta energy: -5.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -28.257047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.257047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.257047 (E_RNA) where: Base-Base interactions energy: -9.924 where: short stacking energy: -9.924 Base-Backbone interact. energy: -0.031 local terms energy: -18.302349 where: bonds (distance) C4'-P energy: -2.920 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.555 flat angles P-C4'-P energy: -2.950 tors. eta vs tors. theta energy: -2.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -21.881998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.881998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.881998 (E_RNA) where: Base-Base interactions energy: -4.667 where: short stacking energy: -4.667 Base-Backbone interact. energy: -0.001 local terms energy: -17.214580 where: bonds (distance) C4'-P energy: -3.161 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -4.449 flat angles P-C4'-P energy: -3.914 tors. eta vs tors. theta energy: -0.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -23.557390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.557390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.557390 (E_RNA) where: Base-Base interactions energy: -6.689 where: short stacking energy: -6.689 Base-Backbone interact. energy: -0.003 local terms energy: -16.865641 where: bonds (distance) C4'-P energy: -2.743 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.337 flat angles P-C4'-P energy: -3.759 tors. eta vs tors. theta energy: -0.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -17.554831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.554831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.554831 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -17.554774 where: bonds (distance) C4'-P energy: -3.036 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.991 flat angles P-C4'-P energy: -3.692 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: 1, replica: 8 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -33.043081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.043081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.043081 (E_RNA) where: Base-Base interactions energy: -11.597 where: short stacking energy: -11.597 Base-Backbone interact. energy: -0.000 local terms energy: -21.445894 where: bonds (distance) C4'-P energy: -3.939 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.570 flat angles P-C4'-P energy: -3.404 tors. eta vs tors. theta energy: -4.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -25.156622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.156622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.156622 (E_RNA) where: Base-Base interactions energy: -6.173 where: short stacking energy: -6.173 Base-Backbone interact. energy: -0.000 local terms energy: -18.984107 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -2.526 flat angles P-C4'-P energy: -3.071 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: 3, replica: 2 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -26.220937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.220937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.220937 (E_RNA) where: Base-Base interactions energy: -7.977 where: short stacking energy: -7.977 Base-Backbone interact. energy: -0.000 local terms energy: -18.244036 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.487 flat angles P-C4'-P energy: -0.969 tors. eta vs tors. theta energy: -3.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -27.816164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.816164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.816164 (E_RNA) where: Base-Base interactions energy: -7.521 where: short stacking energy: -7.521 Base-Backbone interact. energy: -0.006 local terms energy: -20.288688 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.931 flat angles P-C4'-P energy: -3.631 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: 5, replica: 3 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -25.512125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.512125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.512125 (E_RNA) where: Base-Base interactions energy: -10.795 where: short stacking energy: -10.888 Base-Backbone interact. energy: -0.006 local terms energy: -14.711569 where: bonds (distance) C4'-P energy: -2.928 bonds (distance) P-C4' energy: -3.656 flat angles C4'-P-C4' energy: -4.498 flat angles P-C4'-P energy: -2.091 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: 5 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -21.829465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.829465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.829465 (E_RNA) where: Base-Base interactions energy: -7.130 where: short stacking energy: -7.130 Base-Backbone interact. energy: -0.008 local terms energy: -14.690633 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -3.815 flat angles C4'-P-C4' energy: -4.368 flat angles P-C4'-P energy: -3.233 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: 7 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -23.127742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.127742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.127742 (E_RNA) where: Base-Base interactions energy: -4.971 where: short stacking energy: -4.971 Base-Backbone interact. energy: 0.562 local terms energy: -18.719249 where: bonds (distance) C4'-P energy: -4.742 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -4.682 flat angles P-C4'-P energy: -3.509 tors. eta vs tors. theta energy: -1.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -21.668906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.668906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.668906 (E_RNA) where: Base-Base interactions energy: -6.144 where: short stacking energy: -6.144 Base-Backbone interact. energy: -0.006 local terms energy: -15.518850 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.159 flat angles C4'-P-C4' energy: -4.149 flat angles P-C4'-P energy: -2.166 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: 9, replica: 9 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -20.074495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.074495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.074495 (E_RNA) where: Base-Base interactions energy: -4.796 where: short stacking energy: -4.796 Base-Backbone interact. energy: -0.061 local terms energy: -15.217550 where: bonds (distance) C4'-P energy: -2.681 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.904 flat angles P-C4'-P energy: -3.575 tors. eta vs tors. theta energy: 0.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -21.196671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.196671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.196671 (E_RNA) where: Base-Base interactions energy: -5.502 where: short stacking energy: -5.502 Base-Backbone interact. energy: -0.055 local terms energy: -15.640177 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.201 flat angles P-C4'-P energy: 0.010 tors. eta vs tors. theta energy: -2.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -27.202357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.202357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.202357 (E_RNA) where: Base-Base interactions energy: -8.128 where: short stacking energy: -8.128 Base-Backbone interact. energy: -0.000 local terms energy: -19.074059 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -4.578 flat angles C4'-P-C4' energy: -4.043 flat angles P-C4'-P energy: -3.303 tors. eta vs tors. theta energy: -2.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -27.418879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.418879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.418879 (E_RNA) where: Base-Base interactions energy: -11.660 where: short stacking energy: -11.660 Base-Backbone interact. energy: -0.000 local terms energy: -15.759165 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.134 flat angles C4'-P-C4' energy: -2.881 flat angles P-C4'-P energy: -3.708 tors. eta vs tors. theta energy: -0.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -29.411066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.411066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.411066 (E_RNA) where: Base-Base interactions energy: -10.720 where: short stacking energy: -10.720 Base-Backbone interact. energy: -0.000 local terms energy: -18.690622 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.806 flat angles P-C4'-P energy: -2.905 tors. eta vs tors. theta energy: -3.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -22.188765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.188765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.188765 (E_RNA) where: Base-Base interactions energy: -10.621 where: short stacking energy: -10.621 Base-Backbone interact. energy: -0.002 local terms energy: -11.566273 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.420 flat angles C4'-P-C4' energy: -1.632 flat angles P-C4'-P energy: -0.988 tors. eta vs tors. theta energy: -0.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -24.604053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.604053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.604053 (E_RNA) where: Base-Base interactions energy: -6.665 where: short stacking energy: -6.665 Base-Backbone interact. energy: -0.000 local terms energy: -17.938296 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -1.509 flat angles P-C4'-P energy: -3.708 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: 6, replica: 7 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -22.895981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.895981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.895981 (E_RNA) where: Base-Base interactions energy: -8.350 where: short stacking energy: -8.350 Base-Backbone interact. energy: -0.005 local terms energy: -14.540709 where: bonds (distance) C4'-P energy: -2.751 bonds (distance) P-C4' energy: -3.811 flat angles C4'-P-C4' energy: -4.472 flat angles P-C4'-P energy: -2.438 tors. eta vs tors. theta energy: -1.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -23.369592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.369592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.369592 (E_RNA) where: Base-Base interactions energy: -4.087 where: short stacking energy: -4.087 Base-Backbone interact. energy: -0.000 local terms energy: -19.282906 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.377 flat angles P-C4'-P energy: -3.914 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: 8, replica: 9 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -23.603719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.603719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.603719 (E_RNA) where: Base-Base interactions energy: -9.023 where: short stacking energy: -9.023 Base-Backbone interact. energy: -0.028 local terms energy: -14.552790 where: bonds (distance) C4'-P energy: -2.867 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.817 flat angles P-C4'-P energy: -3.337 tors. eta vs tors. theta energy: 0.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -22.232226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.232226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.232226 (E_RNA) where: Base-Base interactions energy: -7.401 where: short stacking energy: -7.401 Base-Backbone interact. energy: -0.060 local terms energy: -14.771296 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -3.748 flat angles C4'-P-C4' energy: -4.717 flat angles P-C4'-P energy: -2.936 tors. eta vs tors. theta energy: 0.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -22.506232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.506232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.506232 (E_RNA) where: Base-Base interactions energy: -3.667 where: short stacking energy: -3.667 Base-Backbone interact. energy: -0.004 local terms energy: -18.835548 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.344 flat angles P-C4'-P energy: -3.116 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: 1, replica: 2 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -29.344872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.344872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.344872 (E_RNA) where: Base-Base interactions energy: -10.453 where: short stacking energy: -10.453 Base-Backbone interact. energy: -0.000 local terms energy: -18.891382 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -3.815 flat angles C4'-P-C4' energy: -2.626 flat angles P-C4'-P energy: -3.491 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: 8 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -31.058702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.058702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.058702 (E_RNA) where: Base-Base interactions energy: -11.062 where: short stacking energy: -11.062 Base-Backbone interact. energy: -0.000 local terms energy: -19.996699 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.363 flat angles P-C4'-P energy: -1.754 tors. eta vs tors. theta energy: -5.164 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: 84 Temperature: 1.000000 Total energy: -26.289676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.289676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.289676 (E_RNA) where: Base-Base interactions energy: -10.060 where: short stacking energy: -10.060 Base-Backbone interact. energy: -0.000 local terms energy: -16.229262 where: bonds (distance) C4'-P energy: -2.804 bonds (distance) P-C4' energy: -3.068 flat angles C4'-P-C4' energy: -4.786 flat angles P-C4'-P energy: -2.705 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: 4, replica: 4 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -26.822987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.822987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.822987 (E_RNA) where: Base-Base interactions energy: -9.565 where: short stacking energy: -9.565 Base-Backbone interact. energy: -0.000 local terms energy: -17.257959 where: bonds (distance) C4'-P energy: -2.590 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -2.865 flat angles P-C4'-P energy: -3.688 tors. eta vs tors. theta energy: -3.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -20.888406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.888406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.888406 (E_RNA) where: Base-Base interactions energy: -4.684 where: short stacking energy: -4.684 Base-Backbone interact. energy: -0.056 local terms energy: -16.148810 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -2.289 flat angles P-C4'-P energy: -3.884 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: 6, replica: 10 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -20.346019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.346019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.346019 (E_RNA) where: Base-Base interactions energy: -6.137 where: short stacking energy: -6.137 Base-Backbone interact. energy: -0.000 local terms energy: -14.208826 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -2.305 flat angles P-C4'-P energy: -1.333 tors. eta vs tors. theta energy: -1.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -24.354799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.354799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.354799 (E_RNA) where: Base-Base interactions energy: -8.721 where: short stacking energy: -8.721 Base-Backbone interact. energy: -0.002 local terms energy: -15.632581 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.212 flat angles P-C4'-P energy: -1.179 tors. eta vs tors. theta energy: -1.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -22.969319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.969319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.969319 (E_RNA) where: Base-Base interactions energy: -6.091 where: short stacking energy: -6.091 Base-Backbone interact. energy: -0.003 local terms energy: -16.874787 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -3.471 flat angles P-C4'-P energy: -3.440 tors. eta vs tors. theta energy: -1.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -20.694069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.694069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.694069 (E_RNA) where: Base-Base interactions energy: -6.678 where: short stacking energy: -6.678 Base-Backbone interact. energy: -0.000 local terms energy: -14.016081 where: bonds (distance) C4'-P energy: -3.136 bonds (distance) P-C4' energy: -4.606 flat angles C4'-P-C4' energy: -4.357 flat angles P-C4'-P energy: -2.477 tors. eta vs tors. theta energy: 0.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -21.373808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.373808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.373808 (E_RNA) where: Base-Base interactions energy: -3.681 where: short stacking energy: -3.681 Base-Backbone interact. energy: -0.000 local terms energy: -17.692528 where: bonds (distance) C4'-P energy: -2.503 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.991 flat angles P-C4'-P energy: -3.576 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: 1, replica: 2 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -24.663529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.663529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.663529 (E_RNA) where: Base-Base interactions energy: -8.431 where: short stacking energy: -8.431 Base-Backbone interact. energy: -0.105 local terms energy: -16.128300 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.871 flat angles P-C4'-P energy: -3.892 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: 2, replica: 3 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -29.708171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.708171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.708171 (E_RNA) where: Base-Base interactions energy: -11.791 where: short stacking energy: -11.791 Base-Backbone interact. energy: -0.033 local terms energy: -17.884476 where: bonds (distance) C4'-P energy: -2.928 bonds (distance) P-C4' energy: -3.751 flat angles C4'-P-C4' energy: -4.574 flat angles P-C4'-P energy: -3.832 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: 3, replica: 8 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -25.333749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.333749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.333749 (E_RNA) where: Base-Base interactions energy: -8.169 where: short stacking energy: -8.169 Base-Backbone interact. energy: -0.000 local terms energy: -17.164768 where: bonds (distance) C4'-P energy: -3.036 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.254 flat angles P-C4'-P energy: -3.636 tors. eta vs tors. theta energy: -1.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -26.653776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.653776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.653776 (E_RNA) where: Base-Base interactions energy: -8.030 where: short stacking energy: -8.030 Base-Backbone interact. energy: 0.129 local terms energy: -18.753426 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.713 flat angles P-C4'-P energy: -2.825 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: 4 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -23.307856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.307856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.307856 (E_RNA) where: Base-Base interactions energy: -4.486 where: short stacking energy: -4.486 Base-Backbone interact. energy: -0.000 local terms energy: -18.821746 where: bonds (distance) C4'-P energy: -3.947 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -4.291 flat angles P-C4'-P energy: -2.564 tors. eta vs tors. theta energy: -3.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -21.119319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.119319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.119319 (E_RNA) where: Base-Base interactions energy: -4.411 where: short stacking energy: -4.411 Base-Backbone interact. energy: -0.001 local terms energy: -16.707913 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.538 flat angles P-C4'-P energy: -3.575 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: 7, replica: 10 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -21.173129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.173129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.173129 (E_RNA) where: Base-Base interactions energy: -5.413 where: short stacking energy: -5.413 Base-Backbone interact. energy: 0.870 local terms energy: -16.629424 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -2.856 flat angles P-C4'-P energy: -1.804 tors. eta vs tors. theta energy: -3.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -24.393693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.393693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.393693 (E_RNA) where: Base-Base interactions energy: -4.007 where: short stacking energy: -4.007 Base-Backbone interact. energy: -0.000 local terms energy: -20.386799 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.368 flat angles P-C4'-P energy: -3.070 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: 9, replica: 1 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -19.260747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.260747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.260747 (E_RNA) where: Base-Base interactions energy: -6.873 where: short stacking energy: -6.873 Base-Backbone interact. energy: -0.000 local terms energy: -12.388212 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: 0.404 flat angles P-C4'-P energy: -2.290 tors. eta vs tors. theta energy: -2.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -21.663427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.663427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.663427 (E_RNA) where: Base-Base interactions energy: -5.693 where: short stacking energy: -5.801 Base-Backbone interact. energy: -0.000 local terms energy: -15.970098 where: bonds (distance) C4'-P energy: -4.233 bonds (distance) P-C4' energy: -4.078 flat angles C4'-P-C4' energy: -1.420 flat angles P-C4'-P energy: -3.273 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: 1, replica: 3 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -31.837603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.837603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.837603 (E_RNA) where: Base-Base interactions energy: -9.396 where: short stacking energy: -9.396 Base-Backbone interact. energy: -0.000 local terms energy: -22.441773 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.345 flat angles P-C4'-P energy: -3.631 tors. eta vs tors. theta energy: -5.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -22.979434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.979434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.979434 (E_RNA) where: Base-Base interactions energy: -9.213 where: short stacking energy: -9.419 Base-Backbone interact. energy: -0.053 local terms energy: -13.713284 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -1.030 flat angles P-C4'-P energy: -2.478 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: 3, replica: 7 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -25.402808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.402808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.402808 (E_RNA) where: Base-Base interactions energy: -7.087 where: short stacking energy: -7.087 Base-Backbone interact. energy: -0.003 local terms energy: -18.312639 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.360 flat angles P-C4'-P energy: -2.826 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: 4, replica: 8 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -24.756179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.756179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.756179 (E_RNA) where: Base-Base interactions energy: -7.808 where: short stacking energy: -7.808 Base-Backbone interact. energy: -0.037 local terms energy: -16.911784 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.419 flat angles P-C4'-P energy: -3.653 tors. eta vs tors. theta energy: 0.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -25.601236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.601236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.601236 (E_RNA) where: Base-Base interactions energy: -10.743 where: short stacking energy: -10.743 Base-Backbone interact. energy: -0.000 local terms energy: -14.858562 where: bonds (distance) C4'-P energy: -1.219 bonds (distance) P-C4' energy: -4.606 flat angles C4'-P-C4' energy: -3.453 flat angles P-C4'-P energy: -1.201 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: 6, replica: 4 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -23.511377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.511377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.511377 (E_RNA) where: Base-Base interactions energy: -7.957 where: short stacking energy: -7.957 Base-Backbone interact. energy: -0.000 local terms energy: -15.554136 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -2.442 flat angles P-C4'-P energy: -3.869 tors. eta vs tors. theta energy: -0.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -22.037669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.037669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.037669 (E_RNA) where: Base-Base interactions energy: -6.422 where: short stacking energy: -6.422 Base-Backbone interact. energy: -0.019 local terms energy: -15.596498 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -3.656 flat angles C4'-P-C4' energy: -4.318 flat angles P-C4'-P energy: -2.420 tors. eta vs tors. theta energy: -0.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -21.728833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.728833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.728833 (E_RNA) where: Base-Base interactions energy: -7.644 where: short stacking energy: -7.644 Base-Backbone interact. energy: -0.000 local terms energy: -14.085194 where: bonds (distance) C4'-P energy: -2.449 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.453 flat angles P-C4'-P energy: -2.209 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: 9, replica: 6 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -23.286059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.286059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.286059 (E_RNA) where: Base-Base interactions energy: -7.768 where: short stacking energy: -7.768 Base-Backbone interact. energy: -0.001 local terms energy: -15.516691 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.109 flat angles P-C4'-P energy: -2.986 tors. eta vs tors. theta energy: -1.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -20.222428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.222428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.222428 (E_RNA) where: Base-Base interactions energy: -6.772 where: short stacking energy: -6.772 Base-Backbone interact. energy: -0.006 local terms energy: -13.444182 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -3.315 flat angles C4'-P-C4' energy: -3.292 flat angles P-C4'-P energy: -1.563 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: 1, replica: 3 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -30.791215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.791215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.791215 (E_RNA) where: Base-Base interactions energy: -10.922 where: short stacking energy: -10.922 Base-Backbone interact. energy: -0.000 local terms energy: -19.869546 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.955 flat angles P-C4'-P energy: -3.254 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: 2, replica: 7 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -30.390765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.390765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.390765 (E_RNA) where: Base-Base interactions energy: -11.334 where: short stacking energy: -11.334 Base-Backbone interact. energy: -0.000 local terms energy: -19.056697 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.345 flat angles P-C4'-P energy: -2.105 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: 3, replica: 2 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -25.932715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.932715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.932715 (E_RNA) where: Base-Base interactions energy: -7.965 where: short stacking energy: -7.965 Base-Backbone interact. energy: -0.000 local terms energy: -17.967285 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -4.631 flat angles C4'-P-C4' energy: -3.156 flat angles P-C4'-P energy: -3.547 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: 4, replica: 9 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -26.105146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.105146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.105146 (E_RNA) where: Base-Base interactions energy: -7.115 where: short stacking energy: -7.115 Base-Backbone interact. energy: -0.098 local terms energy: -18.892257 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.097 flat angles P-C4'-P energy: -3.606 tors. eta vs tors. theta energy: -2.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -27.259498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.259498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.259498 (E_RNA) where: Base-Base interactions energy: -9.517 where: short stacking energy: -9.517 Base-Backbone interact. energy: -0.000 local terms energy: -17.742140 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.471 flat angles P-C4'-P energy: -1.239 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: 6, replica: 5 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -24.053605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.053605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.053605 (E_RNA) where: Base-Base interactions energy: -6.803 where: short stacking energy: -6.803 Base-Backbone interact. energy: -0.000 local terms energy: -17.250419 where: bonds (distance) C4'-P energy: -3.406 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.068 flat angles P-C4'-P energy: -2.985 tors. eta vs tors. theta energy: -1.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -25.358747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.358747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.358747 (E_RNA) where: Base-Base interactions energy: -7.723 where: short stacking energy: -7.723 Base-Backbone interact. energy: -0.001 local terms energy: -17.635158 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -3.786 flat angles C4'-P-C4' energy: -4.025 flat angles P-C4'-P energy: -2.967 tors. eta vs tors. theta energy: -2.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -24.163385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.163385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.163385 (E_RNA) where: Base-Base interactions energy: -5.480 where: short stacking energy: -5.480 Base-Backbone interact. energy: -0.002 local terms energy: -18.681136 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.082 flat angles C4'-P-C4' energy: -4.483 flat angles P-C4'-P energy: -2.878 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: 9, replica: 10 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -20.303833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.303833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.303833 (E_RNA) where: Base-Base interactions energy: -5.213 where: short stacking energy: -5.213 Base-Backbone interact. energy: -0.034 local terms energy: -15.056687 where: bonds (distance) C4'-P energy: -2.672 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.650 flat angles P-C4'-P energy: -2.086 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: 10, replica: 1 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -21.331223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.331223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.331223 (E_RNA) where: Base-Base interactions energy: -7.160 where: short stacking energy: -7.160 Base-Backbone interact. energy: -0.008 local terms energy: -14.162749 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.709 flat angles P-C4'-P energy: -1.523 tors. eta vs tors. theta energy: 0.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -28.233535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.233535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.233535 (E_RNA) where: Base-Base interactions energy: -10.608 where: short stacking energy: -10.608 Base-Backbone interact. energy: -0.000 local terms energy: -17.625178 where: bonds (distance) C4'-P energy: -2.200 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.468 flat angles P-C4'-P energy: -2.441 tors. eta vs tors. theta energy: -3.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -26.696279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.696279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.696279 (E_RNA) where: Base-Base interactions energy: -7.077 where: short stacking energy: -7.077 Base-Backbone interact. energy: -0.601 local terms energy: -19.017760 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.343 flat angles P-C4'-P energy: -2.993 tors. eta vs tors. theta energy: -2.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -26.037944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.037944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.037944 (E_RNA) where: Base-Base interactions energy: -8.063 where: short stacking energy: -8.063 Base-Backbone interact. energy: -0.000 local terms energy: -17.974764 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.609 flat angles P-C4'-P energy: -3.337 tors. eta vs tors. theta energy: -0.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -25.438780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.438780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.438780 (E_RNA) where: Base-Base interactions energy: -7.984 where: short stacking energy: -7.984 Base-Backbone interact. energy: -0.000 local terms energy: -17.455132 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -2.188 flat angles P-C4'-P energy: -3.644 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: 5, replica: 5 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -21.112284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.112284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.112284 (E_RNA) where: Base-Base interactions energy: -4.361 where: short stacking energy: -4.361 Base-Backbone interact. energy: -0.000 local terms energy: -16.751180 where: bonds (distance) C4'-P energy: -2.730 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.752 flat angles P-C4'-P energy: -2.729 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: 6, replica: 8 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -23.262324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.262324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.262324 (E_RNA) where: Base-Base interactions energy: -7.772 where: short stacking energy: -7.772 Base-Backbone interact. energy: -0.015 local terms energy: -15.475809 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -2.153 flat angles P-C4'-P energy: -2.522 tors. eta vs tors. theta energy: -1.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -22.064870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.064870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.064870 (E_RNA) where: Base-Base interactions energy: -4.917 where: short stacking energy: -4.917 Base-Backbone interact. energy: -0.001 local terms energy: -17.147260 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -2.851 flat angles P-C4'-P energy: -2.620 tors. eta vs tors. theta energy: -2.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -21.102625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.102625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.102625 (E_RNA) where: Base-Base interactions energy: -3.182 where: short stacking energy: -3.482 Base-Backbone interact. energy: -0.000 local terms energy: -17.920136 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.165 flat angles P-C4'-P energy: -1.434 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: 9, replica: 1 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -22.814580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.814580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.814580 (E_RNA) where: Base-Base interactions energy: -5.836 where: short stacking energy: -5.836 Base-Backbone interact. energy: -0.082 local terms energy: -16.896456 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.025 flat angles P-C4'-P energy: -3.241 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: 10, replica: 10 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -19.859502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.859502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.859502 (E_RNA) where: Base-Base interactions energy: -4.835 where: short stacking energy: -4.835 Base-Backbone interact. energy: -0.020 local terms energy: -15.004311 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -2.440 flat angles P-C4'-P energy: -4.147 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: 3 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -32.857760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.857760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.857760 (E_RNA) where: Base-Base interactions energy: -11.708 where: short stacking energy: -11.708 Base-Backbone interact. energy: -0.000 local terms energy: -21.150119 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.731 flat angles P-C4'-P energy: -3.767 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: 2, replica: 9 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -27.537590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.537590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.537590 (E_RNA) where: Base-Base interactions energy: -9.322 where: short stacking energy: -9.322 Base-Backbone interact. energy: -0.000 local terms energy: -18.215510 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -3.582 flat angles C4'-P-C4' energy: -3.604 flat angles P-C4'-P energy: -1.842 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: 89 Temperature: 1.000000 Total energy: -25.368551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.368551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.368551 (E_RNA) where: Base-Base interactions energy: -8.268 where: short stacking energy: -8.268 Base-Backbone interact. energy: -0.003 local terms energy: -17.097348 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.849 flat angles P-C4'-P energy: -2.781 tors. eta vs tors. theta energy: -1.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -22.454849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.454849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.454849 (E_RNA) where: Base-Base interactions energy: -3.799 where: short stacking energy: -3.799 Base-Backbone interact. energy: -0.000 local terms energy: -18.655763 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -3.923 flat angles P-C4'-P energy: -1.741 tors. eta vs tors. theta energy: -3.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -24.510420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.510420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.510420 (E_RNA) where: Base-Base interactions energy: -8.713 where: short stacking energy: -8.897 Base-Backbone interact. energy: -0.000 local terms energy: -15.797890 where: bonds (distance) C4'-P energy: -2.804 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -1.338 flat angles P-C4'-P energy: -3.806 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: 6, replica: 6 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -20.979536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.979536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.979536 (E_RNA) where: Base-Base interactions energy: -4.151 where: short stacking energy: -4.151 Base-Backbone interact. energy: -0.001 local terms energy: -16.828332 where: bonds (distance) C4'-P energy: -3.939 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -4.801 flat angles P-C4'-P energy: -2.870 tors. eta vs tors. theta energy: -0.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -25.954154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.954154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.954154 (E_RNA) where: Base-Base interactions energy: -6.884 where: short stacking energy: -6.884 Base-Backbone interact. energy: -0.000 local terms energy: -19.070413 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -2.744 flat angles P-C4'-P energy: -2.428 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: 1 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -22.131420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.131420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.131420 (E_RNA) where: Base-Base interactions energy: -6.755 where: short stacking energy: -6.755 Base-Backbone interact. energy: -0.002 local terms energy: -15.374895 where: bonds (distance) C4'-P energy: -2.689 bonds (distance) P-C4' energy: -4.085 flat angles C4'-P-C4' energy: -4.609 flat angles P-C4'-P energy: -2.540 tors. eta vs tors. theta energy: -1.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -20.909277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.909277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.909277 (E_RNA) where: Base-Base interactions energy: -4.734 where: short stacking energy: -4.734 Base-Backbone interact. energy: -0.054 local terms energy: -16.120911 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -2.150 flat angles P-C4'-P energy: -2.980 tors. eta vs tors. theta energy: -2.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -20.900798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.900798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.900798 (E_RNA) where: Base-Base interactions energy: -4.760 where: short stacking energy: -4.760 Base-Backbone interact. energy: -0.000 local terms energy: -16.140573 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.035 flat angles P-C4'-P energy: -1.390 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: 1, replica: 3 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -28.993401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.993401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.993401 (E_RNA) where: Base-Base interactions energy: -8.257 where: short stacking energy: -8.257 Base-Backbone interact. energy: -0.000 local terms energy: -20.735867 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.370 flat angles C4'-P-C4' energy: -4.608 flat angles P-C4'-P energy: -3.407 tors. eta vs tors. theta energy: -4.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -29.250636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.250636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.250636 (E_RNA) where: Base-Base interactions energy: -10.405 where: short stacking energy: -10.405 Base-Backbone interact. energy: -0.000 local terms energy: -18.845838 where: bonds (distance) C4'-P energy: -3.673 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.150 flat angles P-C4'-P energy: -2.923 tors. eta vs tors. theta energy: -2.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -25.760376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.760376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.760376 (E_RNA) where: Base-Base interactions energy: -9.464 where: short stacking energy: -9.464 Base-Backbone interact. energy: -0.015 local terms energy: -16.281748 where: bonds (distance) C4'-P energy: -3.169 bonds (distance) P-C4' energy: -3.327 flat angles C4'-P-C4' energy: -3.446 flat angles P-C4'-P energy: -2.717 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: 4, replica: 7 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -24.752173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.752173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.752173 (E_RNA) where: Base-Base interactions energy: -9.360 where: short stacking energy: -9.360 Base-Backbone interact. energy: -0.002 local terms energy: -15.389575 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -3.653 flat angles C4'-P-C4' energy: -2.442 flat angles P-C4'-P energy: -3.399 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: 5, replica: 6 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -25.417328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.417328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.417328 (E_RNA) where: Base-Base interactions energy: -7.644 where: short stacking energy: -7.644 Base-Backbone interact. energy: -0.001 local terms energy: -17.771919 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.305 flat angles P-C4'-P energy: -1.179 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: 6, replica: 2 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -22.708701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.708701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.708701 (E_RNA) where: Base-Base interactions energy: -5.189 where: short stacking energy: -5.189 Base-Backbone interact. energy: -0.000 local terms energy: -17.519625 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -3.106 flat angles C4'-P-C4' energy: -3.871 flat angles P-C4'-P energy: -3.702 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: 7, replica: 1 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -24.111021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.111021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.111021 (E_RNA) where: Base-Base interactions energy: -7.394 where: short stacking energy: -7.394 Base-Backbone interact. energy: -0.000 local terms energy: -16.716820 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.726 flat angles P-C4'-P energy: -3.306 tors. eta vs tors. theta energy: -0.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -19.353000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.353000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.353000 (E_RNA) where: Base-Base interactions energy: -4.309 where: short stacking energy: -4.309 Base-Backbone interact. energy: -0.018 local terms energy: -15.025863 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -3.513 flat angles P-C4'-P energy: -2.313 tors. eta vs tors. theta energy: -0.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -23.248111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.248111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.248111 (E_RNA) where: Base-Base interactions energy: -6.892 where: short stacking energy: -6.892 Base-Backbone interact. energy: -0.000 local terms energy: -16.356370 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -2.602 flat angles P-C4'-P energy: -3.395 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: 4 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -22.507923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.507923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.507923 (E_RNA) where: Base-Base interactions energy: -3.784 where: short stacking energy: -3.784 Base-Backbone interact. energy: -0.094 local terms energy: -18.629201 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.498 flat angles P-C4'-P energy: -3.356 tors. eta vs tors. theta energy: -1.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -27.996400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.996400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.996400 (E_RNA) where: Base-Base interactions energy: -11.724 where: short stacking energy: -11.724 Base-Backbone interact. energy: -0.000 local terms energy: -16.272623 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.288 flat angles P-C4'-P energy: -1.117 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: 2, replica: 9 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -26.901671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.901671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.901671 (E_RNA) where: Base-Base interactions energy: -6.388 where: short stacking energy: -6.388 Base-Backbone interact. energy: -0.016 local terms energy: -20.497877 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.727 flat angles P-C4'-P energy: -2.747 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: 3, replica: 5 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -29.614525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.614525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.614525 (E_RNA) where: Base-Base interactions energy: -10.922 where: short stacking energy: -10.922 Base-Backbone interact. energy: -0.000 local terms energy: -18.692448 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.184 flat angles P-C4'-P energy: -3.371 tors. eta vs tors. theta energy: -2.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -25.002082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.002082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.002082 (E_RNA) where: Base-Base interactions energy: -5.677 where: short stacking energy: -5.677 Base-Backbone interact. energy: -0.000 local terms energy: -19.324681 where: bonds (distance) C4'-P energy: -3.708 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.636 flat angles P-C4'-P energy: -1.380 tors. eta vs tors. theta energy: -5.250 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: 7 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -25.099430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.099430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.099430 (E_RNA) where: Base-Base interactions energy: -8.302 where: short stacking energy: -8.302 Base-Backbone interact. energy: -0.021 local terms energy: -16.776313 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.049 flat angles P-C4'-P energy: -2.362 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: 6, replica: 1 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -24.048187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.048187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.048187 (E_RNA) where: Base-Base interactions energy: -8.367 where: short stacking energy: -8.367 Base-Backbone interact. energy: -0.000 local terms energy: -15.681506 where: bonds (distance) C4'-P energy: -1.061 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.883 flat angles P-C4'-P energy: -2.183 tors. eta vs tors. theta energy: -3.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -22.128884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.128884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.128884 (E_RNA) where: Base-Base interactions energy: -5.117 where: short stacking energy: -5.117 Base-Backbone interact. energy: -0.000 local terms energy: -17.011651 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.081 flat angles P-C4'-P energy: -2.654 tors. eta vs tors. theta energy: -2.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -19.845717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.845717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.845717 (E_RNA) where: Base-Base interactions energy: -5.953 where: short stacking energy: -5.953 Base-Backbone interact. energy: -0.004 local terms energy: -13.889476 where: bonds (distance) C4'-P energy: -1.562 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.536 flat angles P-C4'-P energy: -2.251 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: 9, replica: 8 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -19.746870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.746870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.746870 (E_RNA) where: Base-Base interactions energy: -3.435 where: short stacking energy: -3.435 Base-Backbone interact. energy: 0.135 local terms energy: -16.446532 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.681 flat angles P-C4'-P energy: -3.121 tors. eta vs tors. theta energy: -0.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -19.673845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.673845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.673845 (E_RNA) where: Base-Base interactions energy: -6.639 where: short stacking energy: -6.639 Base-Backbone interact. energy: -0.000 local terms energy: -13.034373 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -3.479 flat angles P-C4'-P energy: -1.924 tors. eta vs tors. theta energy: 0.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -26.973153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.973153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.973153 (E_RNA) where: Base-Base interactions energy: -10.984 where: short stacking energy: -10.984 Base-Backbone interact. energy: 0.021 local terms energy: -16.010705 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -4.614 flat angles P-C4'-P energy: -1.577 tors. eta vs tors. theta energy: -1.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -26.890305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.890305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.890305 (E_RNA) where: Base-Base interactions energy: -9.320 where: short stacking energy: -9.392 Base-Backbone interact. energy: -0.026 local terms energy: -17.544202 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.111 flat angles P-C4'-P energy: -1.997 tors. eta vs tors. theta energy: -3.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -22.436287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.436287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.436287 (E_RNA) where: Base-Base interactions energy: -7.550 where: short stacking energy: -7.550 Base-Backbone interact. energy: -0.009 local terms energy: -14.877389 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.636 flat angles P-C4'-P energy: -2.240 tors. eta vs tors. theta energy: -0.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -23.687838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.687838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.687838 (E_RNA) where: Base-Base interactions energy: -6.674 where: short stacking energy: -6.674 Base-Backbone interact. energy: -0.000 local terms energy: -17.013398 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.999 flat angles P-C4'-P energy: -2.612 tors. eta vs tors. theta energy: -1.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -24.153562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.153562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.153562 (E_RNA) where: Base-Base interactions energy: -10.647 where: short stacking energy: -11.104 Base-Backbone interact. energy: -0.011 local terms energy: -13.495329 where: bonds (distance) C4'-P energy: -2.738 bonds (distance) P-C4' energy: -2.391 flat angles C4'-P-C4' energy: -4.839 flat angles P-C4'-P energy: -1.860 tors. eta vs tors. theta energy: -1.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -21.205024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.205024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.205024 (E_RNA) where: Base-Base interactions energy: -8.055 where: short stacking energy: -8.055 Base-Backbone interact. energy: -0.000 local terms energy: -13.149936 where: bonds (distance) C4'-P energy: -3.451 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -2.789 flat angles P-C4'-P energy: 0.889 tors. eta vs tors. theta energy: -2.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -24.821452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.821452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.821452 (E_RNA) where: Base-Base interactions energy: -8.166 where: short stacking energy: -8.166 Base-Backbone interact. energy: -0.070 local terms energy: -16.585189 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -3.751 flat angles C4'-P-C4' energy: -3.570 flat angles P-C4'-P energy: -2.969 tors. eta vs tors. theta energy: -2.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -21.487516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.487516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.487516 (E_RNA) where: Base-Base interactions energy: -7.474 where: short stacking energy: -7.474 Base-Backbone interact. energy: -0.000 local terms energy: -14.013302 where: bonds (distance) C4'-P energy: -1.720 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.491 flat angles P-C4'-P energy: -2.512 tors. eta vs tors. theta energy: -0.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -19.248390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.248390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.248390 (E_RNA) where: Base-Base interactions energy: -3.669 where: short stacking energy: -3.669 Base-Backbone interact. energy: -0.000 local terms energy: -15.579076 where: bonds (distance) C4'-P energy: -3.479 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.070 flat angles P-C4'-P energy: -2.405 tors. eta vs tors. theta energy: -0.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -23.233119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.233119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.233119 (E_RNA) where: Base-Base interactions energy: -6.829 where: short stacking energy: -6.829 Base-Backbone interact. energy: -0.000 local terms energy: -16.403859 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.180 flat angles C4'-P-C4' energy: -3.870 flat angles P-C4'-P energy: -2.014 tors. eta vs tors. theta energy: -2.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -26.916648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.916648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.916648 (E_RNA) where: Base-Base interactions energy: -6.136 where: short stacking energy: -6.136 Base-Backbone interact. energy: -0.011 local terms energy: -20.769169 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.820 flat angles P-C4'-P energy: -2.839 tors. eta vs tors. theta energy: -3.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -27.953086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.953086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.953086 (E_RNA) where: Base-Base interactions energy: -11.255 where: short stacking energy: -11.255 Base-Backbone interact. energy: -0.000 local terms energy: -16.698219 where: bonds (distance) C4'-P energy: -2.432 bonds (distance) P-C4' energy: -3.730 flat angles C4'-P-C4' energy: -4.521 flat angles P-C4'-P energy: -3.303 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: 3 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -25.624108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.624108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.624108 (E_RNA) where: Base-Base interactions energy: -5.111 where: short stacking energy: -5.111 Base-Backbone interact. energy: -0.033 local terms energy: -20.479518 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.514 flat angles P-C4'-P energy: -3.624 tors. eta vs tors. theta energy: -3.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -25.081978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.081978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.081978 (E_RNA) where: Base-Base interactions energy: -8.957 where: short stacking energy: -8.957 Base-Backbone interact. energy: -0.040 local terms energy: -16.085384 where: bonds (distance) C4'-P energy: -3.268 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.615 flat angles P-C4'-P energy: -3.071 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: 5 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -29.404750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.404750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.404750 (E_RNA) where: Base-Base interactions energy: -10.326 where: short stacking energy: -10.326 Base-Backbone interact. energy: -0.000 local terms energy: -19.079102 where: bonds (distance) C4'-P energy: -2.867 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.119 flat angles P-C4'-P energy: -3.376 tors. eta vs tors. theta energy: -3.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -25.787171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.787171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.787171 (E_RNA) where: Base-Base interactions energy: -7.535 where: short stacking energy: -7.535 Base-Backbone interact. energy: -0.012 local terms energy: -18.239944 where: bonds (distance) C4'-P energy: -3.272 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -4.000 flat angles P-C4'-P energy: -3.805 tors. eta vs tors. theta energy: -2.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -21.762790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.762790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.762790 (E_RNA) where: Base-Base interactions energy: -8.082 where: short stacking energy: -8.082 Base-Backbone interact. energy: -0.000 local terms energy: -13.681177 where: bonds (distance) C4'-P energy: -1.170 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.814 flat angles P-C4'-P energy: -0.214 tors. eta vs tors. theta energy: -3.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -19.201119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.201119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.201119 (E_RNA) where: Base-Base interactions energy: -3.682 where: short stacking energy: -3.782 Base-Backbone interact. energy: -0.001 local terms energy: -15.518524 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.184 flat angles P-C4'-P energy: -2.372 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: 2 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -24.165487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.165487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.165487 (E_RNA) where: Base-Base interactions energy: -7.242 where: short stacking energy: -7.242 Base-Backbone interact. energy: -0.000 local terms energy: -16.923364 where: bonds (distance) C4'-P energy: -2.804 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.840 flat angles P-C4'-P energy: -2.598 tors. eta vs tors. theta energy: -3.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -22.165177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.165177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.165177 (E_RNA) where: Base-Base interactions energy: -8.268 where: short stacking energy: -8.268 Base-Backbone interact. energy: -0.068 local terms energy: -13.828612 where: bonds (distance) C4'-P energy: -2.672 bonds (distance) P-C4' energy: -3.553 flat angles C4'-P-C4' energy: -3.203 flat angles P-C4'-P energy: -3.307 tors. eta vs tors. theta energy: -1.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -31.142783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.142783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.142783 (E_RNA) where: Base-Base interactions energy: -11.401 where: short stacking energy: -11.401 Base-Backbone interact. energy: -0.000 local terms energy: -19.741693 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -2.259 flat angles P-C4'-P energy: -3.108 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: 2, replica: 9 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -26.918841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.918841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.918841 (E_RNA) where: Base-Base interactions energy: -9.980 where: short stacking energy: -9.980 Base-Backbone interact. energy: -0.102 local terms energy: -16.836424 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -3.783 flat angles P-C4'-P energy: -3.539 tors. eta vs tors. theta energy: -0.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -29.983683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.983683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.983683 (E_RNA) where: Base-Base interactions energy: -9.908 where: short stacking energy: -9.908 Base-Backbone interact. energy: -0.000 local terms energy: -20.075912 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.679 flat angles P-C4'-P energy: -2.839 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: 3 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -30.761790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.761790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.761790 (E_RNA) where: Base-Base interactions energy: -11.561 where: short stacking energy: -11.561 Base-Backbone interact. energy: -0.000 local terms energy: -19.201172 where: bonds (distance) C4'-P energy: -2.697 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.298 flat angles P-C4'-P energy: -3.547 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: 5, replica: 5 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -24.609302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.609302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.609302 (E_RNA) where: Base-Base interactions energy: -7.578 where: short stacking energy: -7.578 Base-Backbone interact. energy: -0.000 local terms energy: -17.031698 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -4.205 flat angles C4'-P-C4' energy: -4.481 flat angles P-C4'-P energy: -2.647 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: 6, replica: 10 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -26.064684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.064684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.064684 (E_RNA) where: Base-Base interactions energy: -7.731 where: short stacking energy: -7.731 Base-Backbone interact. energy: -0.000 local terms energy: -18.333606 where: bonds (distance) C4'-P energy: -3.645 bonds (distance) P-C4' energy: -4.392 flat angles C4'-P-C4' energy: -4.395 flat angles P-C4'-P energy: -1.880 tors. eta vs tors. theta energy: -4.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -24.186856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.186856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.186856 (E_RNA) where: Base-Base interactions energy: -7.629 where: short stacking energy: -7.629 Base-Backbone interact. energy: -0.026 local terms energy: -16.531769 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.731 flat angles P-C4'-P energy: -3.441 tors. eta vs tors. theta energy: 0.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -25.473546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.473546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.473546 (E_RNA) where: Base-Base interactions energy: -9.626 where: short stacking energy: -9.626 Base-Backbone interact. energy: -0.000 local terms energy: -15.847971 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -1.793 flat angles C4'-P-C4' energy: -2.807 flat angles P-C4'-P energy: -3.558 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: 9, replica: 2 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -19.456982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.456982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.456982 (E_RNA) where: Base-Base interactions energy: -4.717 where: short stacking energy: -4.717 Base-Backbone interact. energy: -0.000 local terms energy: -14.739613 where: bonds (distance) C4'-P energy: -3.264 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -2.683 flat angles P-C4'-P energy: -3.242 tors. eta vs tors. theta energy: -0.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -20.991601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.991601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.991601 (E_RNA) where: Base-Base interactions energy: -3.585 where: short stacking energy: -3.585 Base-Backbone interact. energy: -0.000 local terms energy: -17.406186 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -3.811 flat angles C4'-P-C4' energy: -3.013 flat angles P-C4'-P energy: -3.551 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: 1, replica: 6 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -30.147110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.147110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.147110 (E_RNA) where: Base-Base interactions energy: -11.917 where: short stacking energy: -11.917 Base-Backbone interact. energy: -0.000 local terms energy: -18.229753 where: bonds (distance) C4'-P energy: -3.306 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.518 flat angles P-C4'-P energy: -3.721 tors. eta vs tors. theta energy: -2.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -31.221199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.221199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.221199 (E_RNA) where: Base-Base interactions energy: -12.625 where: short stacking energy: -12.625 Base-Backbone interact. energy: -0.000 local terms energy: -18.596111 where: bonds (distance) C4'-P energy: -0.780 bonds (distance) P-C4' energy: -4.867 flat angles C4'-P-C4' energy: -4.643 flat angles P-C4'-P energy: -3.843 tors. eta vs tors. theta energy: -4.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -26.774688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.774688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.774688 (E_RNA) where: Base-Base interactions energy: -7.972 where: short stacking energy: -7.972 Base-Backbone interact. energy: -0.000 local terms energy: -18.802410 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.487 flat angles P-C4'-P energy: -2.953 tors. eta vs tors. theta energy: -2.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -26.802246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.802246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.802246 (E_RNA) where: Base-Base interactions energy: -6.856 where: short stacking energy: -6.856 Base-Backbone interact. energy: -0.000 local terms energy: -19.946330 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.051 flat angles C4'-P-C4' energy: -3.951 flat angles P-C4'-P energy: -2.633 tors. eta vs tors. theta energy: -4.910 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: 3 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -23.294501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.294501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.294501 (E_RNA) where: Base-Base interactions energy: -7.566 where: short stacking energy: -7.566 Base-Backbone interact. energy: -0.124 local terms energy: -15.604091 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.271 flat angles P-C4'-P energy: -1.445 tors. eta vs tors. theta energy: -1.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -23.624814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.624814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.624814 (E_RNA) where: Base-Base interactions energy: -10.060 where: short stacking energy: -10.060 Base-Backbone interact. energy: -0.000 local terms energy: -13.564963 where: bonds (distance) C4'-P energy: -2.299 bonds (distance) P-C4' energy: -2.954 flat angles C4'-P-C4' energy: -3.659 flat angles P-C4'-P energy: -3.477 tors. eta vs tors. theta energy: -1.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -22.327263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.327263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.327263 (E_RNA) where: Base-Base interactions energy: -7.382 where: short stacking energy: -7.382 Base-Backbone interact. energy: -0.016 local terms energy: -14.928718 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.785 flat angles P-C4'-P energy: -1.173 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: 8, replica: 2 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -23.701452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.701452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.701452 (E_RNA) where: Base-Base interactions energy: -5.808 where: short stacking energy: -5.808 Base-Backbone interact. energy: -0.081 local terms energy: -17.813248 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -3.199 flat angles P-C4'-P energy: -3.070 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: 9, replica: 7 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -20.656062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.656062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.656062 (E_RNA) where: Base-Base interactions energy: -6.592 where: short stacking energy: -6.592 Base-Backbone interact. energy: -0.005 local terms energy: -14.059250 where: bonds (distance) C4'-P energy: -3.417 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -3.799 flat angles P-C4'-P energy: -1.870 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: 10, replica: 8 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -19.960648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.960648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.960648 (E_RNA) where: Base-Base interactions energy: -3.530 where: short stacking energy: -3.530 Base-Backbone interact. energy: -0.000 local terms energy: -16.431067 where: bonds (distance) C4'-P energy: -2.788 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -4.152 flat angles P-C4'-P energy: -2.187 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: 1, replica: 1 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -25.859731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.859731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.859731 (E_RNA) where: Base-Base interactions energy: -5.859 where: short stacking energy: -5.859 Base-Backbone interact. energy: -0.000 local terms energy: -20.000735 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -2.822 flat angles P-C4'-P energy: -3.559 tors. eta vs tors. theta energy: -4.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -30.066195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.066195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.066195 (E_RNA) where: Base-Base interactions energy: -11.780 where: short stacking energy: -11.780 Base-Backbone interact. energy: -0.000 local terms energy: -18.285829 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.313 flat angles P-C4'-P energy: -2.362 tors. eta vs tors. theta energy: -2.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -23.233432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.233432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.233432 (E_RNA) where: Base-Base interactions energy: -8.100 where: short stacking energy: -8.100 Base-Backbone interact. energy: 0.100 local terms energy: -15.233498 where: bonds (distance) C4'-P energy: -3.406 bonds (distance) P-C4' energy: -3.553 flat angles C4'-P-C4' energy: -2.692 flat angles P-C4'-P energy: -1.033 tors. eta vs tors. theta energy: -4.549 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: 4, replica: 9 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -27.936736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.936736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.936736 (E_RNA) where: Base-Base interactions energy: -9.437 where: short stacking energy: -9.437 Base-Backbone interact. energy: -0.000 local terms energy: -18.499903 where: bonds (distance) C4'-P energy: -3.161 bonds (distance) P-C4' energy: -3.064 flat angles C4'-P-C4' energy: -4.820 flat angles P-C4'-P energy: -2.786 tors. eta vs tors. theta energy: -4.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -23.882521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.882521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.882521 (E_RNA) where: Base-Base interactions energy: -7.631 where: short stacking energy: -7.631 Base-Backbone interact. energy: -0.005 local terms energy: -16.246564 where: bonds (distance) C4'-P energy: -3.326 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.235 flat angles P-C4'-P energy: -0.430 tors. eta vs tors. theta energy: -3.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -24.604367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.604367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.604367 (E_RNA) where: Base-Base interactions energy: -5.597 where: short stacking energy: -5.597 Base-Backbone interact. energy: -0.000 local terms energy: -19.007350 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.411 flat angles P-C4'-P energy: -3.766 tors. eta vs tors. theta energy: -2.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -21.907766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.907766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.907766 (E_RNA) where: Base-Base interactions energy: -3.494 where: short stacking energy: -3.494 Base-Backbone interact. energy: -0.000 local terms energy: -18.413289 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.614 flat angles P-C4'-P energy: -3.632 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: 8, replica: 2 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -22.021970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.021970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.021970 (E_RNA) where: Base-Base interactions energy: -5.298 where: short stacking energy: -5.298 Base-Backbone interact. energy: -0.000 local terms energy: -16.723725 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.078 flat angles C4'-P-C4' energy: -2.943 flat angles P-C4'-P energy: -3.310 tors. eta vs tors. theta energy: -1.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -22.840083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.840083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.840083 (E_RNA) where: Base-Base interactions energy: -7.610 where: short stacking energy: -7.610 Base-Backbone interact. energy: -0.000 local terms energy: -15.229996 where: bonds (distance) C4'-P energy: -2.859 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.188 flat angles P-C4'-P energy: -2.607 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: 10, replica: 8 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -21.654536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.654536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.654536 (E_RNA) where: Base-Base interactions energy: -3.948 where: short stacking energy: -3.948 Base-Backbone interact. energy: -0.020 local terms energy: -17.687015 where: bonds (distance) C4'-P energy: -4.750 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.551 flat angles P-C4'-P energy: -3.095 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: 1 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -27.715344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.715344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.715344 (E_RNA) where: Base-Base interactions energy: -10.471 where: short stacking energy: -10.471 Base-Backbone interact. energy: -0.001 local terms energy: -17.243547 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.752 flat angles P-C4'-P energy: -1.455 tors. eta vs tors. theta energy: -2.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -30.131405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.131405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.131405 (E_RNA) where: Base-Base interactions energy: -10.802 where: short stacking energy: -10.802 Base-Backbone interact. energy: -0.000 local terms energy: -19.329370 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -4.609 flat angles P-C4'-P energy: -3.265 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: 3, replica: 6 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -24.167048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.167048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.167048 (E_RNA) where: Base-Base interactions energy: -8.521 where: short stacking energy: -8.521 Base-Backbone interact. energy: -0.000 local terms energy: -15.645521 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -4.441 flat angles C4'-P-C4' energy: -3.781 flat angles P-C4'-P energy: -0.895 tors. eta vs tors. theta energy: -2.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -24.043134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.043134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.043134 (E_RNA) where: Base-Base interactions energy: -8.503 where: short stacking energy: -8.503 Base-Backbone interact. energy: -0.007 local terms energy: -15.532612 where: bonds (distance) C4'-P energy: -1.641 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.152 flat angles P-C4'-P energy: -3.688 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: 5, replica: 9 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -24.111462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.111462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.111462 (E_RNA) where: Base-Base interactions energy: -8.479 where: short stacking energy: -8.479 Base-Backbone interact. energy: -0.001 local terms energy: -15.631697 where: bonds (distance) C4'-P energy: -3.479 bonds (distance) P-C4' energy: -3.349 flat angles C4'-P-C4' energy: -2.849 flat angles P-C4'-P energy: -3.616 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: 6, replica: 10 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -20.174366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.174366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.174366 (E_RNA) where: Base-Base interactions energy: -3.598 where: short stacking energy: -3.598 Base-Backbone interact. energy: -0.002 local terms energy: -16.574032 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.313 flat angles P-C4'-P energy: -2.981 tors. eta vs tors. theta energy: -0.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -22.222477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.222477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.222477 (E_RNA) where: Base-Base interactions energy: -4.531 where: short stacking energy: -4.531 Base-Backbone interact. energy: -0.092 local terms energy: -17.599800 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -3.987 flat angles C4'-P-C4' energy: -4.731 flat angles P-C4'-P energy: -3.636 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: 8, replica: 7 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -20.631320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.631320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.631320 (E_RNA) where: Base-Base interactions energy: -3.717 where: short stacking energy: -3.717 Base-Backbone interact. energy: -0.000 local terms energy: -16.914000 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -4.413 flat angles P-C4'-P energy: -2.401 tors. eta vs tors. theta energy: -2.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -23.509995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.509995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.509995 (E_RNA) where: Base-Base interactions energy: -6.586 where: short stacking energy: -6.586 Base-Backbone interact. energy: -0.000 local terms energy: -16.923608 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -2.704 flat angles P-C4'-P energy: -3.568 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: 10, replica: 8 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -23.278944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.278944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.278944 (E_RNA) where: Base-Base interactions energy: -7.464 where: short stacking energy: -7.464 Base-Backbone interact. energy: -0.000 local terms energy: -15.814943 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -1.511 flat angles P-C4'-P energy: -2.639 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: 1, replica: 5 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -25.877810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.877810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.877810 (E_RNA) where: Base-Base interactions energy: -6.839 where: short stacking energy: -6.839 Base-Backbone interact. energy: -0.000 local terms energy: -19.038459 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.751 flat angles P-C4'-P energy: -3.976 tors. eta vs tors. theta energy: -0.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -25.002155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.002155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.002155 (E_RNA) where: Base-Base interactions energy: -4.439 where: short stacking energy: -4.439 Base-Backbone interact. energy: -0.000 local terms energy: -20.563281 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.413 flat angles P-C4'-P energy: -3.391 tors. eta vs tors. theta energy: -4.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -21.109887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.109887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.109887 (E_RNA) where: Base-Base interactions energy: -4.244 where: short stacking energy: -4.244 Base-Backbone interact. energy: -0.070 local terms energy: -16.795511 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.373 flat angles C4'-P-C4' energy: -3.446 flat angles P-C4'-P energy: -3.795 tors. eta vs tors. theta energy: -0.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -23.062692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.062692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.062692 (E_RNA) where: Base-Base interactions energy: -4.760 where: short stacking energy: -4.760 Base-Backbone interact. energy: -0.001 local terms energy: -18.302060 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -4.632 flat angles P-C4'-P energy: -3.116 tors. eta vs tors. theta energy: -2.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -26.160768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.160768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.160768 (E_RNA) where: Base-Base interactions energy: -6.782 where: short stacking energy: -6.782 Base-Backbone interact. energy: -0.000 local terms energy: -19.379229 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.330 flat angles P-C4'-P energy: -2.251 tors. eta vs tors. theta energy: -3.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -23.429353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.429353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.429353 (E_RNA) where: Base-Base interactions energy: -5.979 where: short stacking energy: -5.979 Base-Backbone interact. energy: -0.058 local terms energy: -17.391883 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -4.341 flat angles P-C4'-P energy: -3.518 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: 7, replica: 7 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -21.178791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.178791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.178791 (E_RNA) where: Base-Base interactions energy: -7.887 where: short stacking energy: -7.887 Base-Backbone interact. energy: -0.012 local terms energy: -13.279963 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -3.287 flat angles C4'-P-C4' energy: -4.629 flat angles P-C4'-P energy: -1.986 tors. eta vs tors. theta energy: 0.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -23.432124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.432124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.432124 (E_RNA) where: Base-Base interactions energy: -3.950 where: short stacking energy: -3.950 Base-Backbone interact. energy: -0.000 local terms energy: -19.482560 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.084 flat angles P-C4'-P energy: -2.465 tors. eta vs tors. theta energy: -3.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -21.418412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.418412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.418412 (E_RNA) where: Base-Base interactions energy: -4.501 where: short stacking energy: -4.501 Base-Backbone interact. energy: 0.125 local terms energy: -17.042074 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.588 flat angles P-C4'-P energy: -3.068 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: 10, replica: 2 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -20.105980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.105980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.105980 (E_RNA) where: Base-Base interactions energy: -1.904 where: short stacking energy: -1.904 Base-Backbone interact. energy: -0.000 local terms energy: -18.201682 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.392 flat angles C4'-P-C4' energy: -4.667 flat angles P-C4'-P energy: -2.504 tors. eta vs tors. theta energy: -2.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -26.827455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.827455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.827455 (E_RNA) where: Base-Base interactions energy: -7.280 where: short stacking energy: -7.280 Base-Backbone interact. energy: -0.000 local terms energy: -19.547495 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.867 flat angles C4'-P-C4' energy: -4.453 flat angles P-C4'-P energy: -3.491 tors. eta vs tors. theta energy: -2.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -28.424772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.424772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.424772 (E_RNA) where: Base-Base interactions energy: -10.114 where: short stacking energy: -10.114 Base-Backbone interact. energy: -0.000 local terms energy: -18.310665 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -4.755 flat angles P-C4'-P energy: -2.951 tors. eta vs tors. theta energy: -1.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -26.757767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.757767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.757767 (E_RNA) where: Base-Base interactions energy: -6.878 where: short stacking energy: -6.878 Base-Backbone interact. energy: -0.000 local terms energy: -19.879343 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.727 flat angles P-C4'-P energy: -2.960 tors. eta vs tors. theta energy: -4.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -25.140729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.140729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.140729 (E_RNA) where: Base-Base interactions energy: -5.535 where: short stacking energy: -5.535 Base-Backbone interact. energy: -0.000 local terms energy: -19.605797 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.294 flat angles P-C4'-P energy: -3.333 tors. eta vs tors. theta energy: -2.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -24.989052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.989052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.989052 (E_RNA) where: Base-Base interactions energy: -7.141 where: short stacking energy: -7.141 Base-Backbone interact. energy: -0.001 local terms energy: -17.847161 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.080 flat angles P-C4'-P energy: -2.263 tors. eta vs tors. theta energy: -2.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -24.454760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.454760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.454760 (E_RNA) where: Base-Base interactions energy: -8.352 where: short stacking energy: -8.352 Base-Backbone interact. energy: -0.040 local terms energy: -16.063580 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.575 flat angles C4'-P-C4' energy: -2.805 flat angles P-C4'-P energy: -3.184 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: 7, replica: 10 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -26.284804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.284804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.284804 (E_RNA) where: Base-Base interactions energy: -9.300 where: short stacking energy: -9.300 Base-Backbone interact. energy: -0.000 local terms energy: -16.985071 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.105 flat angles P-C4'-P energy: -2.853 tors. eta vs tors. theta energy: -0.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -23.881782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.881782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.881782 (E_RNA) where: Base-Base interactions energy: -7.123 where: short stacking energy: -7.123 Base-Backbone interact. energy: -0.005 local terms energy: -16.754145 where: bonds (distance) C4'-P energy: -3.450 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.276 flat angles P-C4'-P energy: -2.362 tors. eta vs tors. theta energy: -1.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -21.413856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.413856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.413856 (E_RNA) where: Base-Base interactions energy: -7.415 where: short stacking energy: -7.415 Base-Backbone interact. energy: -0.091 local terms energy: -13.907366 where: bonds (distance) C4'-P energy: -2.812 bonds (distance) P-C4' energy: -3.981 flat angles C4'-P-C4' energy: -3.745 flat angles P-C4'-P energy: -3.359 tors. eta vs tors. theta energy: -0.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -23.171544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.171544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.171544 (E_RNA) where: Base-Base interactions energy: -4.742 where: short stacking energy: -4.742 Base-Backbone interact. energy: -0.000 local terms energy: -18.429608 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.713 flat angles P-C4'-P energy: -2.086 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: 1, replica: 6 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -29.487785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.487785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.487785 (E_RNA) where: Base-Base interactions energy: -10.008 where: short stacking energy: -10.008 Base-Backbone interact. energy: -0.009 local terms energy: -19.470779 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -3.318 flat angles P-C4'-P energy: -4.053 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: 5 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -30.732166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.732166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.732166 (E_RNA) where: Base-Base interactions energy: -11.788 where: short stacking energy: -11.788 Base-Backbone interact. energy: -0.000 local terms energy: -18.943638 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.364 flat angles P-C4'-P energy: -3.058 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: 3, replica: 9 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -25.491462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.491462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.491462 (E_RNA) where: Base-Base interactions energy: -7.347 where: short stacking energy: -7.347 Base-Backbone interact. energy: -0.003 local terms energy: -18.141401 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.300 flat angles P-C4'-P energy: -3.045 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: 4, replica: 1 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -27.726527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.726527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.726527 (E_RNA) where: Base-Base interactions energy: -7.955 where: short stacking energy: -7.955 Base-Backbone interact. energy: -0.000 local terms energy: -19.771357 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -4.162 flat angles P-C4'-P energy: -2.638 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: 5, replica: 7 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -24.711482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.711482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.711482 (E_RNA) where: Base-Base interactions energy: -7.340 where: short stacking energy: -7.340 Base-Backbone interact. energy: -0.018 local terms energy: -17.353969 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -4.717 flat angles P-C4'-P energy: -2.092 tors. eta vs tors. theta energy: -2.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -23.139329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.139329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.139329 (E_RNA) where: Base-Base interactions energy: -6.657 where: short stacking energy: -6.657 Base-Backbone interact. energy: -0.000 local terms energy: -16.482182 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.719 flat angles P-C4'-P energy: -1.854 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: 7, replica: 8 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -26.356616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.356616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.356616 (E_RNA) where: Base-Base interactions energy: -9.998 where: short stacking energy: -9.998 Base-Backbone interact. energy: -0.000 local terms energy: -16.358666 where: bonds (distance) C4'-P energy: -1.923 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.700 flat angles P-C4'-P energy: -1.589 tors. eta vs tors. theta energy: -3.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -20.779569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.779569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.779569 (E_RNA) where: Base-Base interactions energy: -3.931 where: short stacking energy: -3.931 Base-Backbone interact. energy: -0.000 local terms energy: -16.848015 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.382 flat angles P-C4'-P energy: -1.606 tors. eta vs tors. theta energy: -1.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -22.021196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.021196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.021196 (E_RNA) where: Base-Base interactions energy: -5.962 where: short stacking energy: -5.962 Base-Backbone interact. energy: -0.000 local terms energy: -16.058905 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.777 flat angles P-C4'-P energy: -3.616 tors. eta vs tors. theta energy: -0.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -21.583594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.583594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.583594 (E_RNA) where: Base-Base interactions energy: -6.536 where: short stacking energy: -6.536 Base-Backbone interact. energy: -0.014 local terms energy: -15.033248 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.421 flat angles P-C4'-P energy: -1.926 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: 6 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -25.836372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.836372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.836372 (E_RNA) where: Base-Base interactions energy: -7.920 where: short stacking energy: -7.920 Base-Backbone interact. energy: -0.000 local terms energy: -17.916342 where: bonds (distance) C4'-P energy: -3.045 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.736 flat angles P-C4'-P energy: -1.610 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: 2, replica: 5 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -30.524381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.524381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.524381 (E_RNA) where: Base-Base interactions energy: -11.499 where: short stacking energy: -11.499 Base-Backbone interact. energy: -0.000 local terms energy: -19.025160 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.378 flat angles P-C4'-P energy: -2.562 tors. eta vs tors. theta energy: -3.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -29.333138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.333138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.333138 (E_RNA) where: Base-Base interactions energy: -11.780 where: short stacking energy: -11.780 Base-Backbone interact. energy: -0.000 local terms energy: -17.553215 where: bonds (distance) C4'-P energy: -4.535 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -3.644 flat angles P-C4'-P energy: -3.296 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: 4, replica: 7 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -25.703365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.703365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.703365 (E_RNA) where: Base-Base interactions energy: -6.494 where: short stacking energy: -6.494 Base-Backbone interact. energy: -0.002 local terms energy: -19.207406 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.078 flat angles C4'-P-C4' energy: -4.114 flat angles P-C4'-P energy: -3.234 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: 5, replica: 1 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -23.595063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.595063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.595063 (E_RNA) where: Base-Base interactions energy: -9.974 where: short stacking energy: -9.974 Base-Backbone interact. energy: -0.000 local terms energy: -13.621169 where: bonds (distance) C4'-P energy: -3.194 bonds (distance) P-C4' energy: -3.683 flat angles C4'-P-C4' energy: -3.857 flat angles P-C4'-P energy: -0.671 tors. eta vs tors. theta energy: -2.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -23.438952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.438952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.438952 (E_RNA) where: Base-Base interactions energy: -9.295 where: short stacking energy: -9.295 Base-Backbone interact. energy: -0.040 local terms energy: -14.104696 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -2.273 flat angles P-C4'-P energy: -3.368 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: 4 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -24.666995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.666995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.666995 (E_RNA) where: Base-Base interactions energy: -7.222 where: short stacking energy: -7.222 Base-Backbone interact. energy: -0.001 local terms energy: -17.444055 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.378 flat angles P-C4'-P energy: -1.998 tors. eta vs tors. theta energy: -1.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -21.884547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.884547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.884547 (E_RNA) where: Base-Base interactions energy: -5.668 where: short stacking energy: -4.253 Base-Backbone interact. energy: -0.049 local terms energy: -16.167469 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.864 flat angles P-C4'-P energy: -3.395 tors. eta vs tors. theta energy: -0.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -23.311292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.311292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.311292 (E_RNA) where: Base-Base interactions energy: -6.724 where: short stacking energy: -6.724 Base-Backbone interact. energy: -0.023 local terms energy: -16.564940 where: bonds (distance) C4'-P energy: -1.549 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.142 flat angles P-C4'-P energy: -3.115 tors. eta vs tors. theta energy: -3.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -22.271777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.271777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.271777 (E_RNA) where: Base-Base interactions energy: -4.302 where: short stacking energy: -4.302 Base-Backbone interact. energy: -0.003 local terms energy: -17.966404 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.130 flat angles P-C4'-P energy: -3.491 tors. eta vs tors. theta energy: -0.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -26.227843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.227843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.227843 (E_RNA) where: Base-Base interactions energy: -7.028 where: short stacking energy: -7.028 Base-Backbone interact. energy: -0.002 local terms energy: -19.196989 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.363 flat angles P-C4'-P energy: -3.438 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: 2, replica: 5 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -29.771208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.771208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.771208 (E_RNA) where: Base-Base interactions energy: -12.150 where: short stacking energy: -12.150 Base-Backbone interact. energy: -0.000 local terms energy: -17.620823 where: bonds (distance) C4'-P energy: -3.244 bonds (distance) P-C4' energy: -3.321 flat angles C4'-P-C4' energy: -3.095 flat angles P-C4'-P energy: -3.260 tors. eta vs tors. theta energy: -4.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -25.103623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.103623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.103623 (E_RNA) where: Base-Base interactions energy: -7.852 where: short stacking energy: -7.852 Base-Backbone interact. energy: -0.000 local terms energy: -17.251537 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.609 flat angles P-C4'-P energy: -3.386 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: 9 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -25.940880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.940880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.940880 (E_RNA) where: Base-Base interactions energy: -7.692 where: short stacking energy: -7.692 Base-Backbone interact. energy: -0.699 local terms energy: -17.550125 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.125 flat angles P-C4'-P energy: -3.574 tors. eta vs tors. theta energy: -1.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -23.966407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.966407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.966407 (E_RNA) where: Base-Base interactions energy: -6.447 where: short stacking energy: -6.447 Base-Backbone interact. energy: -0.000 local terms energy: -17.519302 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.206 flat angles P-C4'-P energy: -3.835 tors. eta vs tors. theta energy: -0.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -25.107162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.107162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.107162 (E_RNA) where: Base-Base interactions energy: -8.179 where: short stacking energy: -8.179 Base-Backbone interact. energy: -0.000 local terms energy: -16.928333 where: bonds (distance) C4'-P energy: -3.194 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.647 flat angles P-C4'-P energy: -2.271 tors. eta vs tors. theta energy: -2.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -23.203612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.203612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.203612 (E_RNA) where: Base-Base interactions energy: -6.644 where: short stacking energy: -6.644 Base-Backbone interact. energy: 0.353 local terms energy: -16.912414 where: bonds (distance) C4'-P energy: -2.565 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -3.851 flat angles P-C4'-P energy: -2.485 tors. eta vs tors. theta energy: -2.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -20.694369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.694369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.694369 (E_RNA) where: Base-Base interactions energy: -3.524 where: short stacking energy: -3.524 Base-Backbone interact. energy: -0.405 local terms energy: -16.765776 where: bonds (distance) C4'-P energy: -3.505 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.089 flat angles P-C4'-P energy: -2.844 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: 3 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -19.914902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.914902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.914902 (E_RNA) where: Base-Base interactions energy: -2.073 where: short stacking energy: -3.488 Base-Backbone interact. energy: -0.001 local terms energy: -17.840450 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.569 flat angles C4'-P-C4' energy: -3.579 flat angles P-C4'-P energy: -3.540 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: 10 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -20.384450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.384450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.384450 (E_RNA) where: Base-Base interactions energy: -5.105 where: short stacking energy: -5.105 Base-Backbone interact. energy: -0.013 local terms energy: -15.266688 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -3.007 flat angles C4'-P-C4' energy: -4.552 flat angles P-C4'-P energy: -3.333 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: 1, replica: 6 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -28.716952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.716952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.716952 (E_RNA) where: Base-Base interactions energy: -12.769 where: short stacking energy: -12.769 Base-Backbone interact. energy: -0.001 local terms energy: -15.947443 where: bonds (distance) C4'-P energy: -3.194 bonds (distance) P-C4' energy: -2.782 flat angles C4'-P-C4' energy: -4.467 flat angles P-C4'-P energy: -2.131 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: 7 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -29.157324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.157324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.157324 (E_RNA) where: Base-Base interactions energy: -11.238 where: short stacking energy: -11.238 Base-Backbone interact. energy: -0.000 local terms energy: -17.919541 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.466 flat angles P-C4'-P energy: -2.363 tors. eta vs tors. theta energy: -1.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -28.642729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.642729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.642729 (E_RNA) where: Base-Base interactions energy: -9.200 where: short stacking energy: -9.200 Base-Backbone interact. energy: -0.000 local terms energy: -19.443153 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -2.810 flat angles C4'-P-C4' energy: -4.123 flat angles P-C4'-P energy: -3.950 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: 4, replica: 8 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -24.936526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.936526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.936526 (E_RNA) where: Base-Base interactions energy: -7.094 where: short stacking energy: -7.094 Base-Backbone interact. energy: -0.310 local terms energy: -17.532723 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.330 flat angles P-C4'-P energy: -3.423 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: 5, replica: 9 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -25.003752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.003752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.003752 (E_RNA) where: Base-Base interactions energy: -7.036 where: short stacking energy: -7.036 Base-Backbone interact. energy: -0.000 local terms energy: -17.967616 where: bonds (distance) C4'-P energy: -2.867 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.135 flat angles P-C4'-P energy: -2.668 tors. eta vs tors. theta energy: -3.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -20.681416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.681416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.681416 (E_RNA) where: Base-Base interactions energy: -4.782 where: short stacking energy: -4.782 Base-Backbone interact. energy: -0.000 local terms energy: -15.899600 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -3.515 flat angles C4'-P-C4' energy: -4.402 flat angles P-C4'-P energy: -2.698 tors. eta vs tors. theta energy: -0.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -22.808511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.808511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.808511 (E_RNA) where: Base-Base interactions energy: -8.492 where: short stacking energy: -8.492 Base-Backbone interact. energy: -0.000 local terms energy: -14.316437 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.376 flat angles P-C4'-P energy: -2.465 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: 8, replica: 3 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -21.274300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.274300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.274300 (E_RNA) where: Base-Base interactions energy: -8.449 where: short stacking energy: -8.449 Base-Backbone interact. energy: -0.000 local terms energy: -12.825100 where: bonds (distance) C4'-P energy: -2.962 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -2.617 flat angles P-C4'-P energy: -2.337 tors. eta vs tors. theta energy: -0.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -20.611547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.611547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.611547 (E_RNA) where: Base-Base interactions energy: -7.083 where: short stacking energy: -7.083 Base-Backbone interact. energy: -0.008 local terms energy: -13.520228 where: bonds (distance) C4'-P energy: -1.542 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -2.824 flat angles P-C4'-P energy: -2.204 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: 10, replica: 10 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -20.677622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.677622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.677622 (E_RNA) where: Base-Base interactions energy: -4.760 where: short stacking energy: -4.760 Base-Backbone interact. energy: -0.000 local terms energy: -15.917490 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -4.024 flat angles P-C4'-P energy: -2.924 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: 7 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -31.398995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.398995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.398995 (E_RNA) where: Base-Base interactions energy: -11.703 where: short stacking energy: -11.703 Base-Backbone interact. energy: -0.004 local terms energy: -19.692753 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.059 flat angles P-C4'-P energy: -3.503 tors. eta vs tors. theta energy: -3.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -26.902027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.902027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.902027 (E_RNA) where: Base-Base interactions energy: -7.744 where: short stacking energy: -7.744 Base-Backbone interact. energy: -0.000 local terms energy: -19.157549 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.506 flat angles P-C4'-P energy: -2.477 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: 3, replica: 8 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -28.297401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.297401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.297401 (E_RNA) where: Base-Base interactions energy: -10.512 where: short stacking energy: -10.512 Base-Backbone interact. energy: -0.000 local terms energy: -17.785436 where: bonds (distance) C4'-P energy: -3.024 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.459 flat angles P-C4'-P energy: -1.116 tors. eta vs tors. theta energy: -5.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -24.904023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.904023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.904023 (E_RNA) where: Base-Base interactions energy: -6.156 where: short stacking energy: -6.156 Base-Backbone interact. energy: -0.079 local terms energy: -18.669565 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.590 flat angles P-C4'-P energy: -3.107 tors. eta vs tors. theta energy: -1.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -28.160337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.160337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.160337 (E_RNA) where: Base-Base interactions energy: -11.612 where: short stacking energy: -11.612 Base-Backbone interact. energy: -0.000 local terms energy: -16.547709 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.051 flat angles C4'-P-C4' energy: -2.391 flat angles P-C4'-P energy: -3.976 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: 6, replica: 9 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -21.705402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.705402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.705402 (E_RNA) where: Base-Base interactions energy: -4.628 where: short stacking energy: -4.628 Base-Backbone interact. energy: -0.110 local terms energy: -16.967671 where: bonds (distance) C4'-P energy: -3.683 bonds (distance) P-C4' energy: -4.180 flat angles C4'-P-C4' energy: -4.958 flat angles P-C4'-P energy: -3.559 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: 3 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -23.060151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.060151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.060151 (E_RNA) where: Base-Base interactions energy: -7.146 where: short stacking energy: -7.146 Base-Backbone interact. energy: -0.002 local terms energy: -15.912498 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.453 flat angles P-C4'-P energy: -1.561 tors. eta vs tors. theta energy: -1.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -22.366515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.366515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.366515 (E_RNA) where: Base-Base interactions energy: -7.062 where: short stacking energy: -7.062 Base-Backbone interact. energy: -0.000 local terms energy: -15.304104 where: bonds (distance) C4'-P energy: -2.332 bonds (distance) P-C4' energy: -4.110 flat angles C4'-P-C4' energy: -2.639 flat angles P-C4'-P energy: -3.157 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: 9, replica: 10 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -20.264530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.264530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.264530 (E_RNA) where: Base-Base interactions energy: -6.164 where: short stacking energy: -6.164 Base-Backbone interact. energy: -0.043 local terms energy: -14.057216 where: bonds (distance) C4'-P energy: -2.573 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.345 flat angles P-C4'-P energy: -2.334 tors. eta vs tors. theta energy: 0.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -19.896529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.896529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.896529 (E_RNA) where: Base-Base interactions energy: -4.267 where: short stacking energy: -4.267 Base-Backbone interact. energy: -0.001 local terms energy: -15.628748 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -4.051 flat angles C4'-P-C4' energy: -4.099 flat angles P-C4'-P energy: -3.852 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: 7 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -26.116578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.116578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.116578 (E_RNA) where: Base-Base interactions energy: -8.645 where: short stacking energy: -8.645 Base-Backbone interact. energy: -0.007 local terms energy: -17.464510 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.592 flat angles P-C4'-P energy: -2.903 tors. eta vs tors. theta energy: -1.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -23.484068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.484068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.484068 (E_RNA) where: Base-Base interactions energy: -6.608 where: short stacking energy: -6.608 Base-Backbone interact. energy: -0.000 local terms energy: -16.876109 where: bonds (distance) C4'-P energy: -3.939 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.757 flat angles P-C4'-P energy: -2.775 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: 3, replica: 6 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -27.784623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.784623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.784623 (E_RNA) where: Base-Base interactions energy: -8.855 where: short stacking energy: -8.855 Base-Backbone interact. energy: -0.000 local terms energy: -18.929203 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.662 flat angles P-C4'-P energy: -2.693 tors. eta vs tors. theta energy: -2.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -27.621289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.621289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.621289 (E_RNA) where: Base-Base interactions energy: -9.755 where: short stacking energy: -9.755 Base-Backbone interact. energy: -0.000 local terms energy: -17.866443 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -3.748 flat angles C4'-P-C4' energy: -4.118 flat angles P-C4'-P energy: -2.240 tors. eta vs tors. theta energy: -3.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -23.913423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.913423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.913423 (E_RNA) where: Base-Base interactions energy: -6.739 where: short stacking energy: -6.739 Base-Backbone interact. energy: -0.000 local terms energy: -17.174445 where: bonds (distance) C4'-P energy: -3.761 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.472 flat angles P-C4'-P energy: -2.532 tors. eta vs tors. theta energy: -1.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -25.408653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.408653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.408653 (E_RNA) where: Base-Base interactions energy: -6.359 where: short stacking energy: -6.359 Base-Backbone interact. energy: -0.000 local terms energy: -19.049557 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -2.111 flat angles P-C4'-P energy: -3.936 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: 9 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -21.675205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.675205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.675205 (E_RNA) where: Base-Base interactions energy: -7.477 where: short stacking energy: -7.477 Base-Backbone interact. energy: -0.076 local terms energy: -14.122175 where: bonds (distance) C4'-P energy: -3.024 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.462 flat angles P-C4'-P energy: -3.333 tors. eta vs tors. theta energy: 0.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -20.237834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.237834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.237834 (E_RNA) where: Base-Base interactions energy: -6.290 where: short stacking energy: -6.290 Base-Backbone interact. energy: -0.001 local terms energy: -13.947484 where: bonds (distance) C4'-P energy: -2.921 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.063 flat angles P-C4'-P energy: -2.063 tors. eta vs tors. theta energy: -0.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -20.612210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.612210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.612210 (E_RNA) where: Base-Base interactions energy: -2.758 where: short stacking energy: -2.758 Base-Backbone interact. energy: -0.000 local terms energy: -17.853585 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.341 flat angles P-C4'-P energy: -4.006 tors. eta vs tors. theta energy: -0.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -22.121192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.121192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.121192 (E_RNA) where: Base-Base interactions energy: -6.906 where: short stacking energy: -6.906 Base-Backbone interact. energy: -0.003 local terms energy: -15.212642 where: bonds (distance) C4'-P energy: -3.533 bonds (distance) P-C4' energy: -4.057 flat angles C4'-P-C4' energy: -3.174 flat angles P-C4'-P energy: -1.488 tors. eta vs tors. theta energy: -2.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -29.437037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.437037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.437037 (E_RNA) where: Base-Base interactions energy: -11.475 where: short stacking energy: -11.475 Base-Backbone interact. energy: -0.042 local terms energy: -17.920765 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.164 flat angles P-C4'-P energy: -2.963 tors. eta vs tors. theta energy: -2.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -26.130493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.130493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.130493 (E_RNA) where: Base-Base interactions energy: -9.806 where: short stacking energy: -9.806 Base-Backbone interact. energy: -0.008 local terms energy: -16.316274 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.201 flat angles P-C4'-P energy: -3.666 tors. eta vs tors. theta energy: 0.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -28.078919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.078919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.078919 (E_RNA) where: Base-Base interactions energy: -8.256 where: short stacking energy: -8.256 Base-Backbone interact. energy: -0.000 local terms energy: -19.822960 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -3.815 flat angles C4'-P-C4' energy: -3.499 flat angles P-C4'-P energy: -3.806 tors. eta vs tors. theta energy: -4.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -26.950106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.950106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.950106 (E_RNA) where: Base-Base interactions energy: -8.565 where: short stacking energy: -8.565 Base-Backbone interact. energy: -0.022 local terms energy: -18.363281 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.794 flat angles P-C4'-P energy: -3.807 tors. eta vs tors. theta energy: -1.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -23.004412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.004412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.004412 (E_RNA) where: Base-Base interactions energy: -6.052 where: short stacking energy: -6.052 Base-Backbone interact. energy: -0.000 local terms energy: -16.952308 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -4.575 flat angles C4'-P-C4' energy: -3.853 flat angles P-C4'-P energy: -3.269 tors. eta vs tors. theta energy: -1.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -24.756632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.756632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.756632 (E_RNA) where: Base-Base interactions energy: -7.945 where: short stacking energy: -7.945 Base-Backbone interact. energy: -0.001 local terms energy: -16.811182 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -3.683 flat angles C4'-P-C4' energy: -4.062 flat angles P-C4'-P energy: -3.261 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: 10 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -23.043405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.043405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.043405 (E_RNA) where: Base-Base interactions energy: -3.895 where: short stacking energy: -3.895 Base-Backbone interact. energy: -0.000 local terms energy: -19.147786 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.692 flat angles P-C4'-P energy: -2.811 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: 8, replica: 9 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -25.568244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.568244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.568244 (E_RNA) where: Base-Base interactions energy: -6.590 where: short stacking energy: -6.590 Base-Backbone interact. energy: -0.000 local terms energy: -18.978122 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.118 flat angles P-C4'-P energy: -1.065 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: 9, replica: 4 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -22.643970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.643970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.643970 (E_RNA) where: Base-Base interactions energy: -8.254 where: short stacking energy: -8.254 Base-Backbone interact. energy: -0.069 local terms energy: -14.321287 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.575 flat angles C4'-P-C4' energy: -4.239 flat angles P-C4'-P energy: -1.163 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: 10, replica: 1 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -21.727000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.727000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.727000 (E_RNA) where: Base-Base interactions energy: -3.900 where: short stacking energy: -3.900 Base-Backbone interact. energy: -0.018 local terms energy: -17.808978 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -3.946 flat angles P-C4'-P energy: -3.613 tors. eta vs tors. theta energy: -1.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -31.254312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.254312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.254312 (E_RNA) where: Base-Base interactions energy: -11.720 where: short stacking energy: -11.720 Base-Backbone interact. energy: -0.443 local terms energy: -19.091642 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -2.728 flat angles P-C4'-P energy: -3.708 tors. eta vs tors. theta energy: -3.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -27.081232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.081232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.081232 (E_RNA) where: Base-Base interactions energy: -7.840 where: short stacking energy: -7.840 Base-Backbone interact. energy: -0.012 local terms energy: -19.229614 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.958 flat angles P-C4'-P energy: -3.304 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: 3, replica: 2 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -29.496203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.496203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.496203 (E_RNA) where: Base-Base interactions energy: -10.422 where: short stacking energy: -10.422 Base-Backbone interact. energy: -0.001 local terms energy: -19.073080 where: bonds (distance) C4'-P energy: -3.273 bonds (distance) P-C4' energy: -4.209 flat angles C4'-P-C4' energy: -3.836 flat angles P-C4'-P energy: -3.748 tors. eta vs tors. theta energy: -4.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -23.337684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.337684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.337684 (E_RNA) where: Base-Base interactions energy: -7.711 where: short stacking energy: -7.711 Base-Backbone interact. energy: -0.016 local terms energy: -15.611102 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -2.803 flat angles P-C4'-P energy: -2.951 tors. eta vs tors. theta energy: -0.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -23.975754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.975754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.975754 (E_RNA) where: Base-Base interactions energy: -7.482 where: short stacking energy: -7.482 Base-Backbone interact. energy: -0.007 local terms energy: -16.486876 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.785 flat angles P-C4'-P energy: -3.229 tors. eta vs tors. theta energy: 0.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -23.481901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.481901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.481901 (E_RNA) where: Base-Base interactions energy: -8.027 where: short stacking energy: -8.027 Base-Backbone interact. energy: -0.006 local terms energy: -15.449032 where: bonds (distance) C4'-P energy: -2.983 bonds (distance) P-C4' energy: -4.575 flat angles C4'-P-C4' energy: -3.537 flat angles P-C4'-P energy: -3.255 tors. eta vs tors. theta energy: -1.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -23.859656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.859656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.859656 (E_RNA) where: Base-Base interactions energy: -5.174 where: short stacking energy: -5.174 Base-Backbone interact. energy: -0.000 local terms energy: -18.685960 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.365 flat angles P-C4'-P energy: -1.912 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: 8, replica: 9 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -24.892057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.892057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.892057 (E_RNA) where: Base-Base interactions energy: -7.066 where: short stacking energy: -7.066 Base-Backbone interact. energy: -0.000 local terms energy: -17.825639 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.114 flat angles P-C4'-P energy: -2.136 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: 9, replica: 4 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -24.067858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.067858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.067858 (E_RNA) where: Base-Base interactions energy: -8.199 where: short stacking energy: -8.199 Base-Backbone interact. energy: -0.000 local terms energy: -15.868403 where: bonds (distance) C4'-P energy: -3.148 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -2.918 flat angles P-C4'-P energy: -2.349 tors. eta vs tors. theta energy: -2.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -22.559501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.559501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.559501 (E_RNA) where: Base-Base interactions energy: -6.565 where: short stacking energy: -6.565 Base-Backbone interact. energy: -0.004 local terms energy: -15.990100 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.252 flat angles P-C4'-P energy: -3.408 tors. eta vs tors. theta energy: -0.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -30.405560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.405560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.405560 (E_RNA) where: Base-Base interactions energy: -12.130 where: short stacking energy: -12.130 Base-Backbone interact. energy: -0.000 local terms energy: -18.275587 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -4.324 flat angles P-C4'-P energy: -2.923 tors. eta vs tors. theta energy: -3.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -29.449362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.449362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.449362 (E_RNA) where: Base-Base interactions energy: -11.742 where: short stacking energy: -11.742 Base-Backbone interact. energy: -0.000 local terms energy: -17.707705 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -2.355 flat angles P-C4'-P energy: -4.110 tors. eta vs tors. theta energy: -2.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -23.701002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.701002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.701002 (E_RNA) where: Base-Base interactions energy: -7.591 where: short stacking energy: -7.591 Base-Backbone interact. energy: -0.011 local terms energy: -16.098337 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -4.180 flat angles C4'-P-C4' energy: -4.590 flat angles P-C4'-P energy: -3.913 tors. eta vs tors. theta energy: 0.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -23.646380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.646380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.646380 (E_RNA) where: Base-Base interactions energy: -8.108 where: short stacking energy: -8.108 Base-Backbone interact. energy: -0.000 local terms energy: -15.538159 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -4.044 flat angles C4'-P-C4' energy: -3.603 flat angles P-C4'-P energy: -2.793 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: 10 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -25.489586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.489586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.489586 (E_RNA) where: Base-Base interactions energy: -7.913 where: short stacking energy: -7.913 Base-Backbone interact. energy: -0.000 local terms energy: -17.576275 where: bonds (distance) C4'-P energy: -1.472 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.121 flat angles P-C4'-P energy: -3.683 tors. eta vs tors. theta energy: -3.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -21.859208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.859208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.859208 (E_RNA) where: Base-Base interactions energy: -6.505 where: short stacking energy: -6.505 Base-Backbone interact. energy: -0.002 local terms energy: -15.351907 where: bonds (distance) C4'-P energy: -3.277 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.391 flat angles P-C4'-P energy: -1.709 tors. eta vs tors. theta energy: -1.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -25.455171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.455171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.455171 (E_RNA) where: Base-Base interactions energy: -8.857 where: short stacking energy: -8.857 Base-Backbone interact. energy: -0.000 local terms energy: -16.598485 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.642 flat angles P-C4'-P energy: -2.389 tors. eta vs tors. theta energy: -2.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -20.021291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.021291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.021291 (E_RNA) where: Base-Base interactions energy: -4.652 where: short stacking energy: -4.652 Base-Backbone interact. energy: -0.015 local terms energy: -15.354193 where: bonds (distance) C4'-P energy: -2.271 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -4.313 flat angles P-C4'-P energy: -3.605 tors. eta vs tors. theta energy: -0.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -23.588771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.588771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.588771 (E_RNA) where: Base-Base interactions energy: -4.218 where: short stacking energy: -4.218 Base-Backbone interact. energy: -0.005 local terms energy: -19.365239 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -4.854 flat angles P-C4'-P energy: -3.835 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: 10, replica: 4 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -21.657263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.657263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.657263 (E_RNA) where: Base-Base interactions energy: -1.908 where: short stacking energy: -1.908 Base-Backbone interact. energy: -0.000 local terms energy: -19.748861 where: bonds (distance) C4'-P energy: -4.643 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.409 flat angles P-C4'-P energy: -3.618 tors. eta vs tors. theta energy: -1.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -29.238560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.238560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.238560 (E_RNA) where: Base-Base interactions energy: -11.914 where: short stacking energy: -11.914 Base-Backbone interact. energy: -0.000 local terms energy: -17.325030 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.057 flat angles C4'-P-C4' energy: -4.201 flat angles P-C4'-P energy: -2.089 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: 2, replica: 2 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -26.503251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.503251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.503251 (E_RNA) where: Base-Base interactions energy: -9.829 where: short stacking energy: -9.829 Base-Backbone interact. energy: -0.005 local terms energy: -16.669605 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.176 flat angles P-C4'-P energy: -2.526 tors. eta vs tors. theta energy: -0.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -26.713877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.713877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.713877 (E_RNA) where: Base-Base interactions energy: -8.683 where: short stacking energy: -8.683 Base-Backbone interact. energy: -0.010 local terms energy: -18.020459 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -3.820 flat angles P-C4'-P energy: -2.228 tors. eta vs tors. theta energy: -3.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -27.687233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.687233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.687233 (E_RNA) where: Base-Base interactions energy: -7.725 where: short stacking energy: -7.725 Base-Backbone interact. energy: -0.000 local terms energy: -19.961827 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -4.274 flat angles P-C4'-P energy: -2.916 tors. eta vs tors. theta energy: -4.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -22.568508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.568508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.568508 (E_RNA) where: Base-Base interactions energy: -8.668 where: short stacking energy: -8.668 Base-Backbone interact. energy: -0.000 local terms energy: -13.900834 where: bonds (distance) C4'-P energy: -1.600 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.016 flat angles P-C4'-P energy: -2.525 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: 6, replica: 9 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -21.525451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.525451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.525451 (E_RNA) where: Base-Base interactions energy: -3.615 where: short stacking energy: -3.615 Base-Backbone interact. energy: -0.000 local terms energy: -17.910943 where: bonds (distance) C4'-P energy: -3.380 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.834 flat angles P-C4'-P energy: -3.948 tors. eta vs tors. theta energy: -2.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -22.439214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.439214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.439214 (E_RNA) where: Base-Base interactions energy: -6.402 where: short stacking energy: -6.402 Base-Backbone interact. energy: -0.001 local terms energy: -16.036771 where: bonds (distance) C4'-P energy: -4.311 bonds (distance) P-C4' energy: -4.575 flat angles C4'-P-C4' energy: -4.466 flat angles P-C4'-P energy: -2.138 tors. eta vs tors. theta energy: -0.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -21.510597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.510597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.510597 (E_RNA) where: Base-Base interactions energy: -4.245 where: short stacking energy: -4.245 Base-Backbone interact. energy: -0.000 local terms energy: -17.266022 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.606 flat angles P-C4'-P energy: -3.908 tors. eta vs tors. theta energy: -0.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -19.677468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.677468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.677468 (E_RNA) where: Base-Base interactions energy: -4.460 where: short stacking energy: -4.460 Base-Backbone interact. energy: -0.006 local terms energy: -15.210931 where: bonds (distance) C4'-P energy: -3.194 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -3.866 flat angles P-C4'-P energy: -2.829 tors. eta vs tors. theta energy: -0.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -21.471152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.471152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.471152 (E_RNA) where: Base-Base interactions energy: -5.833 where: short stacking energy: -5.833 Base-Backbone interact. energy: -0.003 local terms energy: -15.634956 where: bonds (distance) C4'-P energy: -3.152 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.268 flat angles P-C4'-P energy: -3.807 tors. eta vs tors. theta energy: -0.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -25.506816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.506816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.506816 (E_RNA) where: Base-Base interactions energy: -8.702 where: short stacking energy: -8.702 Base-Backbone interact. energy: 0.446 local terms energy: -17.250964 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.623 flat angles P-C4'-P energy: -3.020 tors. eta vs tors. theta energy: -1.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -27.170518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.170518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.170518 (E_RNA) where: Base-Base interactions energy: -8.250 where: short stacking energy: -8.250 Base-Backbone interact. energy: -0.000 local terms energy: -18.920247 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.736 flat angles P-C4'-P energy: -2.993 tors. eta vs tors. theta energy: -3.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -26.634578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.634578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.634578 (E_RNA) where: Base-Base interactions energy: -8.151 where: short stacking energy: -8.151 Base-Backbone interact. energy: -0.000 local terms energy: -18.483560 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.020 flat angles P-C4'-P energy: -3.064 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: 7 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -24.155023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.155023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.155023 (E_RNA) where: Base-Base interactions energy: -8.731 where: short stacking energy: -8.731 Base-Backbone interact. energy: -0.006 local terms energy: -15.417371 where: bonds (distance) C4'-P energy: -2.743 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -2.636 flat angles P-C4'-P energy: -2.956 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: 9 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -25.109085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.109085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.109085 (E_RNA) where: Base-Base interactions energy: -9.508 where: short stacking energy: -9.508 Base-Backbone interact. energy: -0.000 local terms energy: -15.601506 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.786 flat angles P-C4'-P energy: -1.923 tors. eta vs tors. theta energy: -0.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -23.143162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.143162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.143162 (E_RNA) where: Base-Base interactions energy: -5.557 where: short stacking energy: -5.557 Base-Backbone interact. energy: -0.000 local terms energy: -17.586168 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.413 flat angles C4'-P-C4' energy: -4.700 flat angles P-C4'-P energy: -3.559 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: 7, replica: 1 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -21.831207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.831207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.831207 (E_RNA) where: Base-Base interactions energy: -9.173 where: short stacking energy: -9.173 Base-Backbone interact. energy: -0.001 local terms energy: -12.658098 where: bonds (distance) C4'-P energy: -2.059 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -2.743 flat angles P-C4'-P energy: -2.245 tors. eta vs tors. theta energy: -0.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -24.664093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.664093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.664093 (E_RNA) where: Base-Base interactions energy: -8.800 where: short stacking energy: -8.800 Base-Backbone interact. energy: -0.000 local terms energy: -15.863942 where: bonds (distance) C4'-P energy: -2.797 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.749 flat angles P-C4'-P energy: -2.809 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: 9, replica: 4 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -24.816032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.816032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.816032 (E_RNA) where: Base-Base interactions energy: -9.915 where: short stacking energy: -9.915 Base-Backbone interact. energy: -0.006 local terms energy: -14.894734 where: bonds (distance) C4'-P energy: -2.387 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -3.342 flat angles P-C4'-P energy: -2.419 tors. eta vs tors. theta energy: -2.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -25.430652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.430652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.430652 (E_RNA) where: Base-Base interactions energy: -7.597 where: short stacking energy: -7.597 Base-Backbone interact. energy: -0.000 local terms energy: -17.833993 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.051 flat angles C4'-P-C4' energy: -4.398 flat angles P-C4'-P energy: -3.414 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: 111 Temperature: 0.900000 Total energy: -26.123094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.123094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.123094 (E_RNA) where: Base-Base interactions energy: -7.083 where: short stacking energy: -7.083 Base-Backbone interact. energy: -0.000 local terms energy: -19.039757 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.027 flat angles P-C4'-P energy: -3.588 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: 2, replica: 10 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -28.432349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.432349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.432349 (E_RNA) where: Base-Base interactions energy: -12.212 where: short stacking energy: -12.212 Base-Backbone interact. energy: -0.071 local terms energy: -16.148774 where: bonds (distance) C4'-P energy: -1.960 bonds (distance) P-C4' energy: -3.786 flat angles C4'-P-C4' energy: -4.623 flat angles P-C4'-P energy: -2.801 tors. eta vs tors. theta energy: -2.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -29.107192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.107192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.107192 (E_RNA) where: Base-Base interactions energy: -7.656 where: short stacking energy: -7.656 Base-Backbone interact. energy: -0.000 local terms energy: -21.451257 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.521 flat angles P-C4'-P energy: -3.729 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: 4, replica: 9 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -22.262814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.262814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.262814 (E_RNA) where: Base-Base interactions energy: -4.706 where: short stacking energy: -4.706 Base-Backbone interact. energy: -0.000 local terms energy: -17.556695 where: bonds (distance) C4'-P energy: -3.161 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.276 flat angles P-C4'-P energy: -2.222 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: 5, replica: 7 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -23.677395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.677395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.677395 (E_RNA) where: Base-Base interactions energy: -6.299 where: short stacking energy: -6.299 Base-Backbone interact. energy: -0.002 local terms energy: -17.376918 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -3.919 flat angles P-C4'-P energy: -3.388 tors. eta vs tors. theta energy: -1.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -24.635928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.635928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.635928 (E_RNA) where: Base-Base interactions energy: -9.008 where: short stacking energy: -9.008 Base-Backbone interact. energy: -0.000 local terms energy: -15.627735 where: bonds (distance) C4'-P energy: -2.415 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -2.041 flat angles P-C4'-P energy: -2.956 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: 7, replica: 3 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -21.084057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.084057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.084057 (E_RNA) where: Base-Base interactions energy: -3.841 where: short stacking energy: -3.841 Base-Backbone interact. energy: -0.238 local terms energy: -17.005333 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.598 flat angles P-C4'-P energy: -3.674 tors. eta vs tors. theta energy: 0.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -27.740219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.740219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.740219 (E_RNA) where: Base-Base interactions energy: -9.350 where: short stacking energy: -9.350 Base-Backbone interact. energy: -0.000 local terms energy: -18.390589 where: bonds (distance) C4'-P energy: -2.564 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -3.686 flat angles P-C4'-P energy: -3.235 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: 9, replica: 6 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -25.155749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.155749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.155749 (E_RNA) where: Base-Base interactions energy: -12.071 where: short stacking energy: -12.434 Base-Backbone interact. energy: -0.006 local terms energy: -13.079318 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.184 flat angles C4'-P-C4' energy: -3.100 flat angles P-C4'-P energy: -1.465 tors. eta vs tors. theta energy: 0.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -20.314212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.314212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.314212 (E_RNA) where: Base-Base interactions energy: -4.844 where: short stacking energy: -4.844 Base-Backbone interact. energy: -0.000 local terms energy: -15.469561 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -1.862 flat angles P-C4'-P energy: -3.269 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: 1, replica: 10 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -27.487018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.487018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.487018 (E_RNA) where: Base-Base interactions energy: -10.988 where: short stacking energy: -10.988 Base-Backbone interact. energy: -0.000 local terms energy: -16.498965 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -4.432 flat angles P-C4'-P energy: -1.506 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: 2, replica: 2 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -25.833751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.833751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.833751 (E_RNA) where: Base-Base interactions energy: -9.053 where: short stacking energy: -9.053 Base-Backbone interact. energy: -0.000 local terms energy: -16.780968 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.671 flat angles P-C4'-P energy: -3.345 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: 3, replica: 9 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -28.596435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.596435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.596435 (E_RNA) where: Base-Base interactions energy: -7.374 where: short stacking energy: -7.374 Base-Backbone interact. energy: -0.000 local terms energy: -21.222555 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -3.894 flat angles P-C4'-P energy: -3.369 tors. eta vs tors. theta energy: -4.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -25.193203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.193203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.193203 (E_RNA) where: Base-Base interactions energy: -6.725 where: short stacking energy: -6.725 Base-Backbone interact. energy: -0.006 local terms energy: -18.462658 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.793 flat angles C4'-P-C4' energy: -4.269 flat angles P-C4'-P energy: -3.880 tors. eta vs tors. theta energy: -2.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -22.165928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.165928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.165928 (E_RNA) where: Base-Base interactions energy: -5.737 where: short stacking energy: -5.737 Base-Backbone interact. energy: -0.680 local terms energy: -15.748729 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -3.815 flat angles C4'-P-C4' energy: -4.894 flat angles P-C4'-P energy: -3.160 tors. eta vs tors. theta energy: -0.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -23.592414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.592414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.592414 (E_RNA) where: Base-Base interactions energy: -6.588 where: short stacking energy: -6.588 Base-Backbone interact. energy: -0.000 local terms energy: -17.004631 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -4.010 flat angles P-C4'-P energy: -2.954 tors. eta vs tors. theta energy: -0.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -24.116402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.116402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.116402 (E_RNA) where: Base-Base interactions energy: -8.148 where: short stacking energy: -8.148 Base-Backbone interact. energy: -0.002 local terms energy: -15.966620 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -3.324 flat angles C4'-P-C4' energy: -2.311 flat angles P-C4'-P energy: -3.525 tors. eta vs tors. theta energy: -2.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -21.114783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.114783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.114783 (E_RNA) where: Base-Base interactions energy: -5.953 where: short stacking energy: -5.953 Base-Backbone interact. energy: -0.000 local terms energy: -15.161523 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -3.183 flat angles P-C4'-P energy: -1.679 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: 9, replica: 5 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -25.176712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.176712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.176712 (E_RNA) where: Base-Base interactions energy: -7.661 where: short stacking energy: -7.661 Base-Backbone interact. energy: -0.004 local terms energy: -17.511324 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.207 flat angles P-C4'-P energy: -2.391 tors. eta vs tors. theta energy: -2.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -22.157561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.157561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.157561 (E_RNA) where: Base-Base interactions energy: -6.715 where: short stacking energy: -6.715 Base-Backbone interact. energy: -0.017 local terms energy: -15.425049 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -2.197 flat angles P-C4'-P energy: -1.883 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: 1, replica: 10 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -26.731398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.731398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.731398 (E_RNA) where: Base-Base interactions energy: -8.580 where: short stacking energy: -8.580 Base-Backbone interact. energy: -0.000 local terms energy: -18.151093 where: bonds (distance) C4'-P energy: -1.190 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.046 flat angles P-C4'-P energy: -3.425 tors. eta vs tors. theta energy: -4.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -25.453483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.453483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.453483 (E_RNA) where: Base-Base interactions energy: -7.601 where: short stacking energy: -7.601 Base-Backbone interact. energy: -0.000 local terms energy: -17.851967 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.046 flat angles P-C4'-P energy: -3.071 tors. eta vs tors. theta energy: -2.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -30.276112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.276112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.276112 (E_RNA) where: Base-Base interactions energy: -10.948 where: short stacking energy: -10.948 Base-Backbone interact. energy: -0.000 local terms energy: -19.327782 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.520 flat angles P-C4'-P energy: -1.568 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: 4, replica: 8 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -22.844481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.844481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.844481 (E_RNA) where: Base-Base interactions energy: -6.869 where: short stacking energy: -6.873 Base-Backbone interact. energy: -0.037 local terms energy: -15.937743 where: bonds (distance) C4'-P energy: -3.708 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.345 flat angles P-C4'-P energy: -3.326 tors. eta vs tors. theta energy: 0.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -22.616516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.616516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.616516 (E_RNA) where: Base-Base interactions energy: -7.048 where: short stacking energy: -7.048 Base-Backbone interact. energy: -0.001 local terms energy: -15.567086 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -3.959 flat angles P-C4'-P energy: -2.492 tors. eta vs tors. theta energy: 0.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -24.716942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.716942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.716942 (E_RNA) where: Base-Base interactions energy: -8.466 where: short stacking energy: -8.466 Base-Backbone interact. energy: -0.002 local terms energy: -16.249041 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -3.981 flat angles C4'-P-C4' energy: -4.256 flat angles P-C4'-P energy: -1.697 tors. eta vs tors. theta energy: -2.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -22.132649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.132649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.132649 (E_RNA) where: Base-Base interactions energy: -6.236 where: short stacking energy: -6.236 Base-Backbone interact. energy: -0.018 local terms energy: -15.878948 where: bonds (distance) C4'-P energy: -3.264 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -3.715 flat angles P-C4'-P energy: -2.694 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: 8, replica: 5 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -20.993581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.993581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.993581 (E_RNA) where: Base-Base interactions energy: -4.441 where: short stacking energy: -4.441 Base-Backbone interact. energy: -0.004 local terms energy: -16.548824 where: bonds (distance) C4'-P energy: -2.920 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.878 flat angles P-C4'-P energy: -3.204 tors. eta vs tors. theta energy: -1.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -21.811220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.811220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.811220 (E_RNA) where: Base-Base interactions energy: -6.932 where: short stacking energy: -6.932 Base-Backbone interact. energy: -0.000 local terms energy: -14.879170 where: bonds (distance) C4'-P energy: -3.335 bonds (distance) P-C4' energy: -4.051 flat angles C4'-P-C4' energy: -2.952 flat angles P-C4'-P energy: -1.555 tors. eta vs tors. theta energy: -2.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -19.000214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.000214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.000214 (E_RNA) where: Base-Base interactions energy: -2.687 where: short stacking energy: -2.687 Base-Backbone interact. energy: -0.000 local terms energy: -16.313309 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -4.152 flat angles C4'-P-C4' energy: -4.132 flat angles P-C4'-P energy: -2.450 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: 1, replica: 2 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -25.573579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.573579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.573579 (E_RNA) where: Base-Base interactions energy: -7.036 where: short stacking energy: -7.036 Base-Backbone interact. energy: -0.024 local terms energy: -18.513519 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -4.521 flat angles P-C4'-P energy: -3.659 tors. eta vs tors. theta energy: -1.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -22.581461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.581461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.581461 (E_RNA) where: Base-Base interactions energy: -7.580 where: short stacking energy: -7.580 Base-Backbone interact. energy: -0.100 local terms energy: -14.901611 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -3.944 flat angles C4'-P-C4' energy: -3.099 flat angles P-C4'-P energy: -3.205 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: 3, replica: 8 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -22.396381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.396381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.396381 (E_RNA) where: Base-Base interactions energy: -7.173 where: short stacking energy: -7.173 Base-Backbone interact. energy: -0.022 local terms energy: -15.201373 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -3.852 flat angles P-C4'-P energy: -1.838 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: 4, replica: 9 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -29.616505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.616505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.616505 (E_RNA) where: Base-Base interactions energy: -11.550 where: short stacking energy: -11.550 Base-Backbone interact. energy: -0.000 local terms energy: -18.066197 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -4.395 flat angles C4'-P-C4' energy: -4.816 flat angles P-C4'-P energy: -1.707 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: 5, replica: 4 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -22.320284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.320284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.320284 (E_RNA) where: Base-Base interactions energy: -3.726 where: short stacking energy: -3.726 Base-Backbone interact. energy: -0.000 local terms energy: -18.594661 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.940 flat angles P-C4'-P energy: -3.318 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: 6, replica: 1 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -20.584945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.584945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.584945 (E_RNA) where: Base-Base interactions energy: -6.750 where: short stacking energy: -6.769 Base-Backbone interact. energy: -0.000 local terms energy: -13.834943 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -3.918 flat angles P-C4'-P energy: 0.598 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: 5 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -23.614443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.614443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.614443 (E_RNA) where: Base-Base interactions energy: -7.487 where: short stacking energy: -7.487 Base-Backbone interact. energy: -0.026 local terms energy: -16.101809 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -2.866 flat angles P-C4'-P energy: -0.905 tors. eta vs tors. theta energy: -2.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -20.914498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.914498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.914498 (E_RNA) where: Base-Base interactions energy: -7.922 where: short stacking energy: -7.922 Base-Backbone interact. energy: -0.008 local terms energy: -12.984673 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.775 flat angles P-C4'-P energy: 1.735 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: 6 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -18.645275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.645275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.645275 (E_RNA) where: Base-Base interactions energy: -6.251 where: short stacking energy: -6.251 Base-Backbone interact. energy: -0.065 local terms energy: -12.329112 where: bonds (distance) C4'-P energy: -2.689 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -3.966 flat angles P-C4'-P energy: -2.312 tors. eta vs tors. theta energy: 0.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -21.646571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.646571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.646571 (E_RNA) where: Base-Base interactions energy: -7.598 where: short stacking energy: -7.598 Base-Backbone interact. energy: -0.083 local terms energy: -13.964937 where: bonds (distance) C4'-P energy: -2.680 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -3.424 flat angles P-C4'-P energy: -2.369 tors. eta vs tors. theta energy: -0.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -32.480736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.480736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.480736 (E_RNA) where: Base-Base interactions energy: -11.671 where: short stacking energy: -11.671 Base-Backbone interact. energy: -0.000 local terms energy: -20.809988 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -4.608 flat angles P-C4'-P energy: -2.603 tors. eta vs tors. theta energy: -4.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -28.183696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.183696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.183696 (E_RNA) where: Base-Base interactions energy: -11.389 where: short stacking energy: -11.389 Base-Backbone interact. energy: -0.012 local terms energy: -16.782776 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.339 flat angles C4'-P-C4' energy: -3.720 flat angles P-C4'-P energy: -2.886 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: 3, replica: 10 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -27.635214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.635214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.635214 (E_RNA) where: Base-Base interactions energy: -8.392 where: short stacking energy: -8.392 Base-Backbone interact. energy: -0.000 local terms energy: -19.243419 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -3.981 flat angles C4'-P-C4' energy: -3.758 flat angles P-C4'-P energy: -3.631 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: 4, replica: 4 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -32.050743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.050743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.050743 (E_RNA) where: Base-Base interactions energy: -11.926 where: short stacking energy: -11.926 Base-Backbone interact. energy: -0.000 local terms energy: -20.124705 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.007 flat angles P-C4'-P energy: -3.823 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: 5, replica: 9 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -22.289690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.289690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.289690 (E_RNA) where: Base-Base interactions energy: -7.389 where: short stacking energy: -7.389 Base-Backbone interact. energy: -0.000 local terms energy: -14.901015 where: bonds (distance) C4'-P energy: -2.975 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -3.420 flat angles P-C4'-P energy: -2.770 tors. eta vs tors. theta energy: -0.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -22.266894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.266894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.266894 (E_RNA) where: Base-Base interactions energy: -6.900 where: short stacking energy: -6.900 Base-Backbone interact. energy: -0.000 local terms energy: -15.366459 where: bonds (distance) C4'-P energy: -2.962 bonds (distance) P-C4' energy: -3.128 flat angles C4'-P-C4' energy: -3.936 flat angles P-C4'-P energy: -2.959 tors. eta vs tors. theta energy: -2.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -24.710656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.710656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.710656 (E_RNA) where: Base-Base interactions energy: -7.488 where: short stacking energy: -7.488 Base-Backbone interact. energy: -0.926 local terms energy: -16.297222 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.084 flat angles P-C4'-P energy: -1.424 tors. eta vs tors. theta energy: -1.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -22.595693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.595693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.595693 (E_RNA) where: Base-Base interactions energy: -5.915 where: short stacking energy: -5.915 Base-Backbone interact. energy: -0.004 local terms energy: -16.676952 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.867 flat angles C4'-P-C4' energy: -2.145 flat angles P-C4'-P energy: -3.940 tors. eta vs tors. theta energy: -1.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -23.391174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.391174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.391174 (E_RNA) where: Base-Base interactions energy: -8.563 where: short stacking energy: -8.563 Base-Backbone interact. energy: -0.001 local terms energy: -14.826770 where: bonds (distance) C4'-P energy: -2.928 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -3.252 flat angles P-C4'-P energy: -1.076 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: 3 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -21.809806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.809806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.809806 (E_RNA) where: Base-Base interactions energy: -6.483 where: short stacking energy: -6.483 Base-Backbone interact. energy: -0.000 local terms energy: -15.327036 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -2.619 flat angles C4'-P-C4' energy: -2.655 flat angles P-C4'-P energy: -2.256 tors. eta vs tors. theta energy: -3.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -25.028847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.028847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.028847 (E_RNA) where: Base-Base interactions energy: -8.085 where: short stacking energy: -8.085 Base-Backbone interact. energy: -0.000 local terms energy: -16.943613 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -3.075 flat angles C4'-P-C4' energy: -3.410 flat angles P-C4'-P energy: -3.873 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: 2, replica: 2 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -25.340731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.340731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.340731 (E_RNA) where: Base-Base interactions energy: -6.906 where: short stacking energy: -6.906 Base-Backbone interact. energy: -0.011 local terms energy: -18.422997 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.052 flat angles P-C4'-P energy: -3.496 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: 3, replica: 4 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -27.729326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.729326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.729326 (E_RNA) where: Base-Base interactions energy: -11.575 where: short stacking energy: -11.575 Base-Backbone interact. energy: -0.000 local terms energy: -16.154363 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.131 flat angles P-C4'-P energy: -0.876 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: 4, replica: 10 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -23.549385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.549385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.549385 (E_RNA) where: Base-Base interactions energy: -8.128 where: short stacking energy: -8.128 Base-Backbone interact. energy: -0.000 local terms energy: -15.421312 where: bonds (distance) C4'-P energy: -4.448 bonds (distance) P-C4' energy: -3.656 flat angles C4'-P-C4' energy: -4.506 flat angles P-C4'-P energy: -3.787 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: 5, replica: 5 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -26.268071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.268071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.268071 (E_RNA) where: Base-Base interactions energy: -7.579 where: short stacking energy: -7.579 Base-Backbone interact. energy: -0.000 local terms energy: -18.688669 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.046 flat angles P-C4'-P energy: -2.286 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: 6, replica: 9 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -23.965105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.965105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.965105 (E_RNA) where: Base-Base interactions energy: -8.329 where: short stacking energy: -8.329 Base-Backbone interact. energy: -0.022 local terms energy: -15.613262 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.801 flat angles P-C4'-P energy: -1.559 tors. eta vs tors. theta energy: 0.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -22.236480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.236480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.236480 (E_RNA) where: Base-Base interactions energy: -3.392 where: short stacking energy: -3.392 Base-Backbone interact. energy: -0.000 local terms energy: -18.844572 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -4.456 flat angles P-C4'-P energy: -3.616 tors. eta vs tors. theta energy: -1.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -19.443540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.443540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.443540 (E_RNA) where: Base-Base interactions energy: -4.819 where: short stacking energy: -4.819 Base-Backbone interact. energy: -0.004 local terms energy: -14.620958 where: bonds (distance) C4'-P energy: -3.152 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.537 flat angles P-C4'-P energy: -3.153 tors. eta vs tors. theta energy: 0.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -22.271687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.271687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.271687 (E_RNA) where: Base-Base interactions energy: -5.343 where: short stacking energy: -5.343 Base-Backbone interact. energy: -0.000 local terms energy: -16.928461 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.378 flat angles P-C4'-P energy: -1.325 tors. eta vs tors. theta energy: -1.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -19.382289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.382289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.382289 (E_RNA) where: Base-Base interactions energy: -5.028 where: short stacking energy: -5.028 Base-Backbone interact. energy: -0.010 local terms energy: -14.344756 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.131 flat angles P-C4'-P energy: -1.998 tors. eta vs tors. theta energy: 0.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -29.126728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.126728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.126728 (E_RNA) where: Base-Base interactions energy: -7.809 where: short stacking energy: -7.809 Base-Backbone interact. energy: -0.000 local terms energy: -21.317828 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -4.441 flat angles C4'-P-C4' energy: -4.244 flat angles P-C4'-P energy: -3.318 tors. eta vs tors. theta energy: -5.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -29.096125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.096125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.096125 (E_RNA) where: Base-Base interactions energy: -10.788 where: short stacking energy: -10.788 Base-Backbone interact. energy: -0.000 local terms energy: -18.308103 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -3.588 flat angles P-C4'-P energy: -3.376 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: 3, replica: 2 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -25.303729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.303729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.303729 (E_RNA) where: Base-Base interactions energy: -7.200 where: short stacking energy: -7.200 Base-Backbone interact. energy: -0.004 local terms energy: -18.099841 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -2.955 flat angles P-C4'-P energy: -3.740 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: 4, replica: 5 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -25.553085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.553085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.553085 (E_RNA) where: Base-Base interactions energy: -6.788 where: short stacking energy: -6.788 Base-Backbone interact. energy: -0.872 local terms energy: -17.892426 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -4.149 flat angles P-C4'-P energy: -3.155 tors. eta vs tors. theta energy: -1.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -20.558720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.558720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.558720 (E_RNA) where: Base-Base interactions energy: -8.269 where: short stacking energy: -8.269 Base-Backbone interact. energy: -0.001 local terms energy: -12.289274 where: bonds (distance) C4'-P energy: -2.859 bonds (distance) P-C4' energy: -3.987 flat angles C4'-P-C4' energy: -2.740 flat angles P-C4'-P energy: -1.615 tors. eta vs tors. theta energy: -1.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -23.372322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.372322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.372322 (E_RNA) where: Base-Base interactions energy: -6.950 where: short stacking energy: -6.950 Base-Backbone interact. energy: -0.000 local terms energy: -16.421864 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -1.547 flat angles P-C4'-P energy: -2.777 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: 7, replica: 9 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -19.687350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.687350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.687350 (E_RNA) where: Base-Base interactions energy: -4.132 where: short stacking energy: -4.132 Base-Backbone interact. energy: -0.052 local terms energy: -15.503984 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -4.078 flat angles C4'-P-C4' energy: -3.722 flat angles P-C4'-P energy: -2.484 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: 8, replica: 3 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -19.027158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.027158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.027158 (E_RNA) where: Base-Base interactions energy: -4.297 where: short stacking energy: -4.297 Base-Backbone interact. energy: -0.005 local terms energy: -14.725187 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -3.618 flat angles P-C4'-P energy: -2.957 tors. eta vs tors. theta energy: 0.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -20.965719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.965719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.965719 (E_RNA) where: Base-Base interactions energy: -3.101 where: short stacking energy: -3.101 Base-Backbone interact. energy: -0.015 local terms energy: -17.850020 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.360 flat angles P-C4'-P energy: -3.253 tors. eta vs tors. theta energy: -0.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -21.607174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.607174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.607174 (E_RNA) where: Base-Base interactions energy: -6.754 where: short stacking energy: -6.754 Base-Backbone interact. energy: -0.001 local terms energy: -14.852824 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -2.747 flat angles C4'-P-C4' energy: -3.517 flat angles P-C4'-P energy: -3.873 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: 1, replica: 4 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -30.967112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.967112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.967112 (E_RNA) where: Base-Base interactions energy: -11.317 where: short stacking energy: -11.317 Base-Backbone interact. energy: -0.000 local terms energy: -19.650508 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -3.327 flat angles C4'-P-C4' energy: -4.850 flat angles P-C4'-P energy: -2.157 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: 8 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -28.790619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.790619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.790619 (E_RNA) where: Base-Base interactions energy: -11.301 where: short stacking energy: -11.301 Base-Backbone interact. energy: -0.000 local terms energy: -17.489822 where: bonds (distance) C4'-P energy: -3.169 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -3.612 flat angles P-C4'-P energy: -3.517 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: 5 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -21.911906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.911906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.911906 (E_RNA) where: Base-Base interactions energy: -5.090 where: short stacking energy: -5.090 Base-Backbone interact. energy: -0.414 local terms energy: -16.407918 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.296 flat angles P-C4'-P energy: -2.824 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: 4, replica: 2 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -25.670673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.670673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.670673 (E_RNA) where: Base-Base interactions energy: -7.138 where: short stacking energy: -7.138 Base-Backbone interact. energy: -0.001 local terms energy: -18.531180 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.119 flat angles P-C4'-P energy: -3.521 tors. eta vs tors. theta energy: -2.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -26.336791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.336791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.336791 (E_RNA) where: Base-Base interactions energy: -8.218 where: short stacking energy: -8.218 Base-Backbone interact. energy: -0.000 local terms energy: -18.118992 where: bonds (distance) C4'-P energy: -1.835 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.402 flat angles P-C4'-P energy: -2.857 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: 6, replica: 10 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -23.010679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.010679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.010679 (E_RNA) where: Base-Base interactions energy: -6.871 where: short stacking energy: -6.871 Base-Backbone interact. energy: -0.000 local terms energy: -16.139166 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -2.580 flat angles P-C4'-P energy: -2.457 tors. eta vs tors. theta energy: -2.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -24.389100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.389100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.389100 (E_RNA) where: Base-Base interactions energy: -7.207 where: short stacking energy: -7.207 Base-Backbone interact. energy: -0.000 local terms energy: -17.182595 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -2.507 flat angles C4'-P-C4' energy: -3.329 flat angles P-C4'-P energy: -3.363 tors. eta vs tors. theta energy: -3.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -24.107458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.107458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.107458 (E_RNA) where: Base-Base interactions energy: -4.560 where: short stacking energy: -4.560 Base-Backbone interact. energy: -0.000 local terms energy: -19.547295 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -4.867 flat angles C4'-P-C4' energy: -4.207 flat angles P-C4'-P energy: -3.561 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: 9, replica: 7 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -20.777249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.777249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.777249 (E_RNA) where: Base-Base interactions energy: -3.444 where: short stacking energy: -3.444 Base-Backbone interact. energy: -0.001 local terms energy: -17.332538 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.127 flat angles P-C4'-P energy: -3.683 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: 1 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -23.624771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.624771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.624771 (E_RNA) where: Base-Base interactions energy: -7.097 where: short stacking energy: -7.097 Base-Backbone interact. energy: -0.000 local terms energy: -16.527423 where: bonds (distance) C4'-P energy: -2.689 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.670 flat angles P-C4'-P energy: -1.981 tors. eta vs tors. theta energy: -3.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -26.118645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.118645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.118645 (E_RNA) where: Base-Base interactions energy: -8.396 where: short stacking energy: -8.396 Base-Backbone interact. energy: -0.000 local terms energy: -17.723131 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.521 flat angles P-C4'-P energy: -2.570 tors. eta vs tors. theta energy: -1.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -26.805970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.805970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.805970 (E_RNA) where: Base-Base interactions energy: -7.836 where: short stacking energy: -7.836 Base-Backbone interact. energy: -0.000 local terms energy: -18.970211 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.432 flat angles P-C4'-P energy: -2.723 tors. eta vs tors. theta energy: -2.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -24.751039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.751039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.751039 (E_RNA) where: Base-Base interactions energy: -6.629 where: short stacking energy: -6.629 Base-Backbone interact. energy: -0.001 local terms energy: -18.121170 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.674 flat angles P-C4'-P energy: -2.837 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: 4, replica: 6 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -30.601070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.601070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.601070 (E_RNA) where: Base-Base interactions energy: -10.966 where: short stacking energy: -10.966 Base-Backbone interact. energy: -0.000 local terms energy: -19.634789 where: bonds (distance) C4'-P energy: -3.673 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -4.543 flat angles P-C4'-P energy: -3.370 tors. eta vs tors. theta energy: -3.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -27.110929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.110929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.110929 (E_RNA) where: Base-Base interactions energy: -11.920 where: short stacking energy: -11.920 Base-Backbone interact. energy: -0.001 local terms energy: -15.189814 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.365 flat angles P-C4'-P energy: -1.986 tors. eta vs tors. theta energy: -1.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -21.580135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.580135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.580135 (E_RNA) where: Base-Base interactions energy: -6.769 where: short stacking energy: -6.769 Base-Backbone interact. energy: -0.000 local terms energy: -14.810874 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -2.781 flat angles P-C4'-P energy: -2.789 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: 7, replica: 10 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -20.626908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.626908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.626908 (E_RNA) where: Base-Base interactions energy: -6.475 where: short stacking energy: -6.475 Base-Backbone interact. energy: -0.001 local terms energy: -14.150529 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -1.409 flat angles P-C4'-P energy: -2.842 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: 8, replica: 7 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -21.162901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.162901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.162901 (E_RNA) where: Base-Base interactions energy: -4.768 where: short stacking energy: -4.768 Base-Backbone interact. energy: -0.039 local terms energy: -16.355565 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -3.833 flat angles P-C4'-P energy: -3.619 tors. eta vs tors. theta energy: 0.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -20.006097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.006097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.006097 (E_RNA) where: Base-Base interactions energy: -4.097 where: short stacking energy: -4.097 Base-Backbone interact. energy: -0.027 local terms energy: -15.881645 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -3.793 flat angles C4'-P-C4' energy: -3.376 flat angles P-C4'-P energy: -3.291 tors. eta vs tors. theta energy: -1.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -21.429616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.429616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.429616 (E_RNA) where: Base-Base interactions energy: -6.020 where: short stacking energy: -6.020 Base-Backbone interact. energy: -0.000 local terms energy: -15.409799 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.345 flat angles P-C4'-P energy: -1.471 tors. eta vs tors. theta energy: -1.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -28.907759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.907759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.907759 (E_RNA) where: Base-Base interactions energy: -9.955 where: short stacking energy: -9.955 Base-Backbone interact. energy: -0.000 local terms energy: -18.952247 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.331 flat angles P-C4'-P energy: -3.765 tors. eta vs tors. theta energy: -2.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -28.839795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.839795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.839795 (E_RNA) where: Base-Base interactions energy: -10.679 where: short stacking energy: -10.679 Base-Backbone interact. energy: -0.000 local terms energy: -18.160949 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -3.360 flat angles C4'-P-C4' energy: -3.991 flat angles P-C4'-P energy: -3.994 tors. eta vs tors. theta energy: -2.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -25.219045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.219045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.219045 (E_RNA) where: Base-Base interactions energy: -8.064 where: short stacking energy: -8.064 Base-Backbone interact. energy: -0.000 local terms energy: -17.154848 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.721 flat angles P-C4'-P energy: -3.908 tors. eta vs tors. theta energy: -0.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -23.757252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.757252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.757252 (E_RNA) where: Base-Base interactions energy: -4.459 where: short stacking energy: -4.459 Base-Backbone interact. energy: -0.000 local terms energy: -19.297871 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.683 flat angles P-C4'-P energy: -3.186 tors. eta vs tors. theta energy: -2.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -22.791077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.791077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.791077 (E_RNA) where: Base-Base interactions energy: -3.910 where: short stacking energy: -3.910 Base-Backbone interact. energy: -0.019 local terms energy: -18.862358 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.928 flat angles P-C4'-P energy: -3.381 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: 6, replica: 2 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -27.791402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.791402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.791402 (E_RNA) where: Base-Base interactions energy: -6.533 where: short stacking energy: -6.533 Base-Backbone interact. energy: -0.000 local terms energy: -21.258402 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.150 flat angles P-C4'-P energy: -3.759 tors. eta vs tors. theta energy: -3.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -23.826738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.826738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.826738 (E_RNA) where: Base-Base interactions energy: -8.359 where: short stacking energy: -8.459 Base-Backbone interact. energy: -0.012 local terms energy: -15.456027 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -2.935 flat angles P-C4'-P energy: -2.789 tors. eta vs tors. theta energy: -0.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -19.397731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.397731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.397731 (E_RNA) where: Base-Base interactions energy: -2.165 where: short stacking energy: -2.165 Base-Backbone interact. energy: -0.000 local terms energy: -17.232547 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -4.536 flat angles P-C4'-P energy: -2.284 tors. eta vs tors. theta energy: -1.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -22.849699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.849699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.849699 (E_RNA) where: Base-Base interactions energy: -5.232 where: short stacking energy: -5.232 Base-Backbone interact. energy: -0.068 local terms energy: -17.550328 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.710 flat angles P-C4'-P energy: -3.880 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: 10, replica: 9 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -25.604994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.604994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.604994 (E_RNA) where: Base-Base interactions energy: -7.578 where: short stacking energy: -7.578 Base-Backbone interact. energy: -1.577 local terms energy: -16.450062 where: bonds (distance) C4'-P energy: -2.278 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.222 flat angles P-C4'-P energy: -3.799 tors. eta vs tors. theta energy: -1.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -30.460517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.460517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.460517 (E_RNA) where: Base-Base interactions energy: -11.316 where: short stacking energy: -11.316 Base-Backbone interact. energy: -0.001 local terms energy: -19.143453 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.882 flat angles P-C4'-P energy: -2.676 tors. eta vs tors. theta energy: -2.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -23.487205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.487205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.487205 (E_RNA) where: Base-Base interactions energy: -6.808 where: short stacking energy: -6.808 Base-Backbone interact. energy: -0.001 local terms energy: -16.678670 where: bonds (distance) C4'-P energy: -3.682 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.362 flat angles P-C4'-P energy: -3.930 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: 3, replica: 4 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -29.009462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.009462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.009462 (E_RNA) where: Base-Base interactions energy: -10.032 where: short stacking energy: -10.032 Base-Backbone interact. energy: -0.000 local terms energy: -18.977725 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -3.415 flat angles P-C4'-P energy: -2.761 tors. eta vs tors. theta energy: -4.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -23.434566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.434566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.434566 (E_RNA) where: Base-Base interactions energy: -5.367 where: short stacking energy: -5.367 Base-Backbone interact. energy: -0.000 local terms energy: -18.067964 where: bonds (distance) C4'-P energy: -3.889 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.261 flat angles P-C4'-P energy: -2.635 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: 5, replica: 8 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -26.176066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.176066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.176066 (E_RNA) where: Base-Base interactions energy: -8.598 where: short stacking energy: -8.598 Base-Backbone interact. energy: -0.000 local terms energy: -17.578422 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.048 flat angles P-C4'-P energy: -1.326 tors. eta vs tors. theta energy: -2.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -23.834385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.834385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.834385 (E_RNA) where: Base-Base interactions energy: -7.808 where: short stacking energy: -7.808 Base-Backbone interact. energy: -0.000 local terms energy: -16.026393 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.233 flat angles P-C4'-P energy: -0.500 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: 2 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -22.739853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.739853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.739853 (E_RNA) where: Base-Base interactions energy: -3.792 where: short stacking energy: -3.792 Base-Backbone interact. energy: -0.000 local terms energy: -18.947958 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.500 flat angles P-C4'-P energy: -2.887 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: 1 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -24.234378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.234378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.234378 (E_RNA) where: Base-Base interactions energy: -7.715 where: short stacking energy: -7.715 Base-Backbone interact. energy: -0.017 local terms energy: -16.502358 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.724 flat angles P-C4'-P energy: -1.428 tors. eta vs tors. theta energy: -1.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -22.986668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.986668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.986668 (E_RNA) where: Base-Base interactions energy: -7.005 where: short stacking energy: -7.005 Base-Backbone interact. energy: -0.000 local terms energy: -15.981264 where: bonds (distance) C4'-P energy: -2.387 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -3.514 flat angles P-C4'-P energy: -3.381 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: 10, replica: 9 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -21.087579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.087579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.087579 (E_RNA) where: Base-Base interactions energy: -2.845 where: short stacking energy: -2.845 Base-Backbone interact. energy: -0.014 local terms energy: -18.229299 where: bonds (distance) C4'-P energy: -3.939 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.448 flat angles P-C4'-P energy: -3.818 tors. eta vs tors. theta energy: -1.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -25.752736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.752736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.752736 (E_RNA) where: Base-Base interactions energy: -7.408 where: short stacking energy: -7.408 Base-Backbone interact. energy: -0.001 local terms energy: -18.343592 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.726 flat angles P-C4'-P energy: -3.739 tors. eta vs tors. theta energy: -1.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -26.660262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.660262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.660262 (E_RNA) where: Base-Base interactions energy: -6.564 where: short stacking energy: -6.564 Base-Backbone interact. energy: -0.000 local terms energy: -20.096659 where: bonds (distance) C4'-P energy: -3.861 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.801 flat angles P-C4'-P energy: -3.384 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: 3 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -27.052271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.052271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.052271 (E_RNA) where: Base-Base interactions energy: -10.689 where: short stacking energy: -10.689 Base-Backbone interact. energy: -0.000 local terms energy: -16.363099 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -3.479 flat angles P-C4'-P energy: -3.159 tors. eta vs tors. theta energy: -1.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -29.220698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.220698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.220698 (E_RNA) where: Base-Base interactions energy: -11.922 where: short stacking energy: -11.922 Base-Backbone interact. energy: -0.000 local terms energy: -17.298914 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -4.308 flat angles P-C4'-P energy: -1.544 tors. eta vs tors. theta energy: -3.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -23.424257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.424257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.424257 (E_RNA) where: Base-Base interactions energy: -6.108 where: short stacking energy: -6.108 Base-Backbone interact. energy: -0.000 local terms energy: -17.316386 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.084 flat angles P-C4'-P energy: -0.774 tors. eta vs tors. theta energy: -3.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -25.917905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.917905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.917905 (E_RNA) where: Base-Base interactions energy: -5.556 where: short stacking energy: -5.556 Base-Backbone interact. energy: -0.000 local terms energy: -20.362298 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.402 flat angles P-C4'-P energy: -2.561 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: 1 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -23.829823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.829823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.829823 (E_RNA) where: Base-Base interactions energy: -8.657 where: short stacking energy: -8.657 Base-Backbone interact. energy: -0.000 local terms energy: -15.172985 where: bonds (distance) C4'-P energy: -3.317 bonds (distance) P-C4' energy: -3.793 flat angles C4'-P-C4' energy: -4.365 flat angles P-C4'-P energy: -0.629 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: 2 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -25.455501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.455501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.455501 (E_RNA) where: Base-Base interactions energy: -7.069 where: short stacking energy: -7.069 Base-Backbone interact. energy: -0.000 local terms energy: -18.386322 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.343 flat angles C4'-P-C4' energy: -4.255 flat angles P-C4'-P energy: -3.807 tors. eta vs tors. theta energy: -1.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -21.017571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.017571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.017571 (E_RNA) where: Base-Base interactions energy: -6.011 where: short stacking energy: -6.011 Base-Backbone interact. energy: -0.026 local terms energy: -14.980675 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -3.128 flat angles C4'-P-C4' energy: -2.650 flat angles P-C4'-P energy: -3.994 tors. eta vs tors. theta energy: -1.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -19.643722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.643722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.643722 (E_RNA) where: Base-Base interactions energy: -3.734 where: short stacking energy: -3.734 Base-Backbone interact. energy: -0.000 local terms energy: -15.909777 where: bonds (distance) C4'-P energy: -1.206 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.990 flat angles P-C4'-P energy: -2.986 tors. eta vs tors. theta energy: -2.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -25.084660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.084660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.084660 (E_RNA) where: Base-Base interactions energy: -6.310 where: short stacking energy: -6.310 Base-Backbone interact. energy: -0.136 local terms energy: -18.639129 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.736 flat angles P-C4'-P energy: -3.785 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: 2, replica: 5 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -31.292300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.292300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.292300 (E_RNA) where: Base-Base interactions energy: -10.324 where: short stacking energy: -10.324 Base-Backbone interact. energy: -0.000 local terms energy: -20.968514 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.994 flat angles P-C4'-P energy: -3.384 tors. eta vs tors. theta energy: -3.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -30.270458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.270458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.270458 (E_RNA) where: Base-Base interactions energy: -11.229 where: short stacking energy: -11.229 Base-Backbone interact. energy: -0.000 local terms energy: -19.040971 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.515 flat angles P-C4'-P energy: -3.503 tors. eta vs tors. theta energy: -3.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -24.644661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.644661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.644661 (E_RNA) where: Base-Base interactions energy: -9.885 where: short stacking energy: -9.885 Base-Backbone interact. energy: -0.000 local terms energy: -14.759949 where: bonds (distance) C4'-P energy: -0.611 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.428 flat angles P-C4'-P energy: -3.568 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: 5, replica: 4 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -27.116578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.116578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.116578 (E_RNA) where: Base-Base interactions energy: -10.516 where: short stacking energy: -10.516 Base-Backbone interact. energy: -0.000 local terms energy: -16.600200 where: bonds (distance) C4'-P energy: -3.389 bonds (distance) P-C4' energy: -4.416 flat angles C4'-P-C4' energy: -4.152 flat angles P-C4'-P energy: -1.316 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: 6, replica: 8 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -24.897367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.897367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.897367 (E_RNA) where: Base-Base interactions energy: -7.213 where: short stacking energy: -7.213 Base-Backbone interact. energy: -0.003 local terms energy: -17.681270 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.433 flat angles P-C4'-P energy: -3.729 tors. eta vs tors. theta energy: -0.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -19.823559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.823559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.823559 (E_RNA) where: Base-Base interactions energy: -4.109 where: short stacking energy: -4.109 Base-Backbone interact. energy: -0.072 local terms energy: -15.642885 where: bonds (distance) C4'-P energy: -3.393 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.241 flat angles P-C4'-P energy: -2.576 tors. eta vs tors. theta energy: -0.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -21.014839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.014839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.014839 (E_RNA) where: Base-Base interactions energy: -5.366 where: short stacking energy: -5.366 Base-Backbone interact. energy: -0.002 local terms energy: -15.646701 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -4.205 flat angles C4'-P-C4' energy: -4.123 flat angles P-C4'-P energy: -2.489 tors. eta vs tors. theta energy: -1.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -21.707552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.707552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.707552 (E_RNA) where: Base-Base interactions energy: -5.342 where: short stacking energy: -5.342 Base-Backbone interact. energy: -0.000 local terms energy: -16.365858 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.154 flat angles P-C4'-P energy: -3.571 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: 10 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -19.594651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.594651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.594651 (E_RNA) where: Base-Base interactions energy: -5.780 where: short stacking energy: -5.780 Base-Backbone interact. energy: -0.083 local terms energy: -13.731406 where: bonds (distance) C4'-P energy: -3.479 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -0.680 flat angles P-C4'-P energy: -2.599 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: 1, replica: 5 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -26.552795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.552795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.552795 (E_RNA) where: Base-Base interactions energy: -10.448 where: short stacking energy: -10.448 Base-Backbone interact. energy: -0.000 local terms energy: -16.104808 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -2.324 flat angles P-C4'-P energy: -2.810 tors. eta vs tors. theta energy: -2.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -26.012860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.012860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.012860 (E_RNA) where: Base-Base interactions energy: -7.294 where: short stacking energy: -7.294 Base-Backbone interact. energy: -0.000 local terms energy: -18.719021 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.078 flat angles P-C4'-P energy: -3.745 tors. eta vs tors. theta energy: -2.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -23.542586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.542586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.542586 (E_RNA) where: Base-Base interactions energy: -5.874 where: short stacking energy: -7.094 Base-Backbone interact. energy: -0.038 local terms energy: -17.631030 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -3.568 flat angles P-C4'-P energy: -3.624 tors. eta vs tors. theta energy: -1.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -24.670812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.670812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.670812 (E_RNA) where: Base-Base interactions energy: -6.188 where: short stacking energy: -6.188 Base-Backbone interact. energy: -0.000 local terms energy: -18.483254 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.046 flat angles P-C4'-P energy: -2.534 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: 5, replica: 8 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -26.474635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.474635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.474635 (E_RNA) where: Base-Base interactions energy: -8.463 where: short stacking energy: -8.463 Base-Backbone interact. energy: -0.000 local terms energy: -18.011246 where: bonds (distance) C4'-P energy: -3.442 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.989 flat angles P-C4'-P energy: -2.944 tors. eta vs tors. theta energy: -2.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -23.076358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.076358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.076358 (E_RNA) where: Base-Base interactions energy: -8.825 where: short stacking energy: -8.825 Base-Backbone interact. energy: -0.000 local terms energy: -14.250938 where: bonds (distance) C4'-P energy: -3.861 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -0.862 flat angles P-C4'-P energy: -2.673 tors. eta vs tors. theta energy: -1.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -22.870655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.870655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.870655 (E_RNA) where: Base-Base interactions energy: -6.238 where: short stacking energy: -6.238 Base-Backbone interact. energy: -0.095 local terms energy: -16.538333 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.105 flat angles P-C4'-P energy: -1.704 tors. eta vs tors. theta energy: -1.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -19.979178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.979178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.979178 (E_RNA) where: Base-Base interactions energy: -4.021 where: short stacking energy: -4.021 Base-Backbone interact. energy: -0.182 local terms energy: -15.775636 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.540 flat angles P-C4'-P energy: -3.408 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: 9, replica: 10 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -18.136175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.136175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.136175 (E_RNA) where: Base-Base interactions energy: -5.006 where: short stacking energy: -5.006 Base-Backbone interact. energy: -0.009 local terms energy: -13.121192 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.012 flat angles P-C4'-P energy: -0.941 tors. eta vs tors. theta energy: 0.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -20.442274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.442274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.442274 (E_RNA) where: Base-Base interactions energy: -6.478 where: short stacking energy: -6.392 Base-Backbone interact. energy: -0.000 local terms energy: -13.963946 where: bonds (distance) C4'-P energy: -3.264 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -2.077 flat angles P-C4'-P energy: -3.141 tors. eta vs tors. theta energy: -0.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -30.591641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.591641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.591641 (E_RNA) where: Base-Base interactions energy: -9.147 where: short stacking energy: -9.147 Base-Backbone interact. energy: -0.000 local terms energy: -21.444555 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.555 flat angles P-C4'-P energy: -3.499 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: 7 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -27.419184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.419184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.419184 (E_RNA) where: Base-Base interactions energy: -8.926 where: short stacking energy: -8.926 Base-Backbone interact. energy: -0.004 local terms energy: -18.489516 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.820 flat angles P-C4'-P energy: -2.573 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: 3, replica: 6 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -28.631297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.631297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.631297 (E_RNA) where: Base-Base interactions energy: -9.397 where: short stacking energy: -9.397 Base-Backbone interact. energy: -0.002 local terms energy: -19.232677 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -5.128 flat angles C4'-P-C4' energy: -2.671 flat angles P-C4'-P energy: -3.673 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: 125 Temperature: 1.050000 Total energy: -24.075305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.075305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.075305 (E_RNA) where: Base-Base interactions energy: -8.542 where: short stacking energy: -8.542 Base-Backbone interact. energy: -0.000 local terms energy: -15.533270 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -2.619 flat angles C4'-P-C4' energy: -3.550 flat angles P-C4'-P energy: -3.296 tors. eta vs tors. theta energy: -2.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -29.522270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.522270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.522270 (E_RNA) where: Base-Base interactions energy: -8.941 where: short stacking energy: -8.941 Base-Backbone interact. energy: -0.000 local terms energy: -20.581604 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -3.532 flat angles C4'-P-C4' energy: -4.610 flat angles P-C4'-P energy: -3.192 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: 9 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -25.485175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.485175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.485175 (E_RNA) where: Base-Base interactions energy: -7.798 where: short stacking energy: -7.798 Base-Backbone interact. energy: -0.000 local terms energy: -17.687304 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.449 flat angles P-C4'-P energy: -2.144 tors. eta vs tors. theta energy: -3.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -23.472412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.472412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.472412 (E_RNA) where: Base-Base interactions energy: -7.312 where: short stacking energy: -7.312 Base-Backbone interact. energy: -0.044 local terms energy: -16.116306 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -3.726 flat angles C4'-P-C4' energy: -3.787 flat angles P-C4'-P energy: -2.298 tors. eta vs tors. theta energy: -2.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -27.103357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.103357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.103357 (E_RNA) where: Base-Base interactions energy: -7.268 where: short stacking energy: -7.268 Base-Backbone interact. energy: -0.000 local terms energy: -19.835197 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -3.113 flat angles C4'-P-C4' energy: -3.972 flat angles P-C4'-P energy: -3.795 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: 9, replica: 1 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -26.751363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.751363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.751363 (E_RNA) where: Base-Base interactions energy: -11.110 where: short stacking energy: -11.110 Base-Backbone interact. energy: -0.000 local terms energy: -15.641699 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -2.981 flat angles P-C4'-P energy: -1.201 tors. eta vs tors. theta energy: -3.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -29.369774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.369774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.369774 (E_RNA) where: Base-Base interactions energy: -9.597 where: short stacking energy: -9.597 Base-Backbone interact. energy: -0.000 local terms energy: -19.772690 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.279 flat angles P-C4'-P energy: -4.036 tors. eta vs tors. theta energy: -2.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -30.357780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.357780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.357780 (E_RNA) where: Base-Base interactions energy: -12.622 where: short stacking energy: -12.622 Base-Backbone interact. energy: -0.000 local terms energy: -17.735935 where: bonds (distance) C4'-P energy: -3.479 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.551 flat angles P-C4'-P energy: -1.898 tors. eta vs tors. theta energy: -3.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -26.087094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.087094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.087094 (E_RNA) where: Base-Base interactions energy: -7.462 where: short stacking energy: -7.462 Base-Backbone interact. energy: -0.239 local terms energy: -18.386539 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.653 flat angles P-C4'-P energy: -3.398 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: 3, replica: 3 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -21.910573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.910573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.910573 (E_RNA) where: Base-Base interactions energy: -6.887 where: short stacking energy: -6.887 Base-Backbone interact. energy: -0.000 local terms energy: -15.022919 where: bonds (distance) C4'-P energy: -3.708 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.227 flat angles P-C4'-P energy: -3.533 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: 4, replica: 6 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -25.240828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.240828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.240828 (E_RNA) where: Base-Base interactions energy: -4.859 where: short stacking energy: -4.859 Base-Backbone interact. energy: -0.000 local terms energy: -20.382168 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.721 flat angles P-C4'-P energy: -3.522 tors. eta vs tors. theta energy: -2.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -26.584048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.584048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.584048 (E_RNA) where: Base-Base interactions energy: -8.316 where: short stacking energy: -8.316 Base-Backbone interact. energy: -0.000 local terms energy: -18.268048 where: bonds (distance) C4'-P energy: -3.032 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.279 flat angles P-C4'-P energy: -1.923 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: 6, replica: 8 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -24.559996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.559996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.559996 (E_RNA) where: Base-Base interactions energy: -7.456 where: short stacking energy: -7.456 Base-Backbone interact. energy: -0.000 local terms energy: -17.103504 where: bonds (distance) C4'-P energy: -3.152 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -3.495 flat angles P-C4'-P energy: -3.277 tors. eta vs tors. theta energy: -2.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -24.205509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.205509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.205509 (E_RNA) where: Base-Base interactions energy: -7.425 where: short stacking energy: -7.425 Base-Backbone interact. energy: -0.120 local terms energy: -16.661055 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -3.894 flat angles P-C4'-P energy: -2.922 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: 8, replica: 4 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -22.347720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.347720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.347720 (E_RNA) where: Base-Base interactions energy: -4.404 where: short stacking energy: -4.404 Base-Backbone interact. energy: -0.001 local terms energy: -17.942794 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.367 flat angles C4'-P-C4' energy: -4.133 flat angles P-C4'-P energy: -3.411 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: 9, replica: 2 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -20.836360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.836360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.836360 (E_RNA) where: Base-Base interactions energy: -3.576 where: short stacking energy: -3.576 Base-Backbone interact. energy: -0.053 local terms energy: -17.207273 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -3.620 flat angles P-C4'-P energy: -3.625 tors. eta vs tors. theta energy: 0.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -20.130203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.130203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.130203 (E_RNA) where: Base-Base interactions energy: -3.514 where: short stacking energy: -3.514 Base-Backbone interact. energy: -0.083 local terms energy: -16.533569 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.809 flat angles P-C4'-P energy: -3.586 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: 7 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -30.553527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.553527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.553527 (E_RNA) where: Base-Base interactions energy: -10.638 where: short stacking energy: -10.638 Base-Backbone interact. energy: -0.002 local terms energy: -19.913594 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.430 flat angles P-C4'-P energy: -3.835 tors. eta vs tors. theta energy: -2.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -27.223272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.223272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.223272 (E_RNA) where: Base-Base interactions energy: -8.300 where: short stacking energy: -8.300 Base-Backbone interact. energy: -0.000 local terms energy: -18.923437 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.697 flat angles P-C4'-P energy: -3.122 tors. eta vs tors. theta energy: -2.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -22.983180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.983180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.983180 (E_RNA) where: Base-Base interactions energy: -7.517 where: short stacking energy: -7.517 Base-Backbone interact. energy: -0.009 local terms energy: -15.457485 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -3.410 flat angles P-C4'-P energy: -2.112 tors. eta vs tors. theta energy: -1.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -18.982322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.982322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.982322 (E_RNA) where: Base-Base interactions energy: -3.741 where: short stacking energy: -3.741 Base-Backbone interact. energy: -0.005 local terms energy: -15.236570 where: bonds (distance) C4'-P energy: -4.311 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.423 flat angles P-C4'-P energy: -2.440 tors. eta vs tors. theta energy: 0.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -24.902560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.902560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.902560 (E_RNA) where: Base-Base interactions energy: -7.040 where: short stacking energy: -7.040 Base-Backbone interact. energy: -0.000 local terms energy: -17.862867 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -3.895 flat angles C4'-P-C4' energy: -1.998 flat angles P-C4'-P energy: -3.873 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: 6, replica: 10 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -25.826688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.826688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.826688 (E_RNA) where: Base-Base interactions energy: -8.695 where: short stacking energy: -8.695 Base-Backbone interact. energy: -0.000 local terms energy: -17.131394 where: bonds (distance) C4'-P energy: -3.939 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -4.536 flat angles P-C4'-P energy: -3.055 tors. eta vs tors. theta energy: -0.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -22.223605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.223605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.223605 (E_RNA) where: Base-Base interactions energy: -4.638 where: short stacking energy: -4.638 Base-Backbone interact. energy: -0.083 local terms energy: -17.503205 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.653 flat angles P-C4'-P energy: -3.746 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: 8, replica: 2 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -21.982566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.982566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.982566 (E_RNA) where: Base-Base interactions energy: -4.702 where: short stacking energy: -4.702 Base-Backbone interact. energy: -0.008 local terms energy: -17.271990 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.194 flat angles P-C4'-P energy: -3.188 tors. eta vs tors. theta energy: -1.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -19.606763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.606763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.606763 (E_RNA) where: Base-Base interactions energy: -4.188 where: short stacking energy: -4.188 Base-Backbone interact. energy: -0.004 local terms energy: -15.414596 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -3.372 flat angles P-C4'-P energy: -3.398 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: 10, replica: 1 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -23.131336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.131336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.131336 (E_RNA) where: Base-Base interactions energy: -3.684 where: short stacking energy: -3.684 Base-Backbone interact. energy: -0.000 local terms energy: -19.447447 where: bonds (distance) C4'-P energy: -2.229 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.606 flat angles P-C4'-P energy: -3.309 tors. eta vs tors. theta energy: -4.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -28.950738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.950738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.950738 (E_RNA) where: Base-Base interactions energy: -10.513 where: short stacking energy: -10.513 Base-Backbone interact. energy: -0.000 local terms energy: -18.437930 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -2.796 flat angles P-C4'-P energy: -3.561 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: 2, replica: 7 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -28.240469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.240469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.240469 (E_RNA) where: Base-Base interactions energy: -10.075 where: short stacking energy: -10.075 Base-Backbone interact. energy: -0.000 local terms energy: -18.165587 where: bonds (distance) C4'-P energy: -3.326 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -4.102 flat angles P-C4'-P energy: -3.306 tors. eta vs tors. theta energy: -3.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -26.565088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.565088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.565088 (E_RNA) where: Base-Base interactions energy: -7.864 where: short stacking energy: -7.864 Base-Backbone interact. energy: -0.018 local terms energy: -18.682460 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -3.109 flat angles P-C4'-P energy: -3.693 tors. eta vs tors. theta energy: -2.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -21.713344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.713344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.713344 (E_RNA) where: Base-Base interactions energy: -3.371 where: short stacking energy: -3.371 Base-Backbone interact. energy: -0.000 local terms energy: -18.342022 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -4.554 flat angles P-C4'-P energy: -2.874 tors. eta vs tors. theta energy: -2.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -24.482296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.482296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.482296 (E_RNA) where: Base-Base interactions energy: -5.462 where: short stacking energy: -5.462 Base-Backbone interact. energy: -0.000 local terms energy: -19.020617 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.500 flat angles P-C4'-P energy: -3.225 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: 6, replica: 6 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -28.286566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.286566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.286566 (E_RNA) where: Base-Base interactions energy: -10.776 where: short stacking energy: -10.776 Base-Backbone interact. energy: -0.001 local terms energy: -17.509969 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.840 flat angles P-C4'-P energy: -2.589 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: 7, replica: 2 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -23.031184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.031184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.031184 (E_RNA) where: Base-Base interactions energy: -8.591 where: short stacking energy: -8.591 Base-Backbone interact. energy: -0.064 local terms energy: -14.376394 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -3.557 flat angles C4'-P-C4' energy: -3.674 flat angles P-C4'-P energy: -3.171 tors. eta vs tors. theta energy: 0.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -21.650297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.650297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.650297 (E_RNA) where: Base-Base interactions energy: -3.865 where: short stacking energy: -3.865 Base-Backbone interact. energy: -0.001 local terms energy: -17.784509 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.403 flat angles P-C4'-P energy: -1.870 tors. eta vs tors. theta energy: -2.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -19.320391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.320391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.320391 (E_RNA) where: Base-Base interactions energy: -6.201 where: short stacking energy: -6.201 Base-Backbone interact. energy: -0.017 local terms energy: -13.103080 where: bonds (distance) C4'-P energy: -3.309 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.270 flat angles P-C4'-P energy: -1.582 tors. eta vs tors. theta energy: 0.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -21.202314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.202314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.202314 (E_RNA) where: Base-Base interactions energy: -2.596 where: short stacking energy: -2.596 Base-Backbone interact. energy: -0.000 local terms energy: -18.606193 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.525 flat angles P-C4'-P energy: -2.251 tors. eta vs tors. theta energy: -2.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -27.810344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.810344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.810344 (E_RNA) where: Base-Base interactions energy: -11.473 where: short stacking energy: -11.473 Base-Backbone interact. energy: -0.000 local terms energy: -16.337626 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.490 flat angles P-C4'-P energy: -0.352 tors. eta vs tors. theta energy: -2.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -26.284845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.284845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.284845 (E_RNA) where: Base-Base interactions energy: -8.333 where: short stacking energy: -8.333 Base-Backbone interact. energy: -0.030 local terms energy: -17.921416 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.413 flat angles C4'-P-C4' energy: -3.253 flat angles P-C4'-P energy: -2.473 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: 3, replica: 7 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -30.145256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.145256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.145256 (E_RNA) where: Base-Base interactions energy: -11.429 where: short stacking energy: -11.429 Base-Backbone interact. energy: -0.001 local terms energy: -18.715370 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.273 flat angles P-C4'-P energy: -2.916 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: 4, replica: 10 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -24.532799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.532799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.532799 (E_RNA) where: Base-Base interactions energy: -7.774 where: short stacking energy: -7.846 Base-Backbone interact. energy: -0.094 local terms energy: -16.665358 where: bonds (distance) C4'-P energy: -2.316 bonds (distance) P-C4' energy: -4.336 flat angles C4'-P-C4' energy: -3.993 flat angles P-C4'-P energy: -2.981 tors. eta vs tors. theta energy: -3.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -22.524525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.524525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.524525 (E_RNA) where: Base-Base interactions energy: -3.897 where: short stacking energy: -3.897 Base-Backbone interact. energy: -0.055 local terms energy: -18.572513 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.368 flat angles P-C4'-P energy: -2.131 tors. eta vs tors. theta energy: -2.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -29.697071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.697071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.697071 (E_RNA) where: Base-Base interactions energy: -10.331 where: short stacking energy: -10.331 Base-Backbone interact. energy: -0.000 local terms energy: -19.366559 where: bonds (distance) C4'-P energy: -3.309 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.324 flat angles P-C4'-P energy: -2.724 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: 6 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -27.101069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.101069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.101069 (E_RNA) where: Base-Base interactions energy: -9.603 where: short stacking energy: -9.603 Base-Backbone interact. energy: -0.001 local terms energy: -17.497913 where: bonds (distance) C4'-P energy: -2.859 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -4.384 flat angles P-C4'-P energy: -2.840 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: 8, replica: 1 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -23.319483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.319483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.319483 (E_RNA) where: Base-Base interactions energy: -5.929 where: short stacking energy: -5.929 Base-Backbone interact. energy: -0.000 local terms energy: -17.390548 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -3.071 flat angles C4'-P-C4' energy: -4.168 flat angles P-C4'-P energy: -3.729 tors. eta vs tors. theta energy: -2.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -18.188207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.188207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.188207 (E_RNA) where: Base-Base interactions energy: -3.569 where: short stacking energy: -3.569 Base-Backbone interact. energy: -0.059 local terms energy: -14.559591 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.305 flat angles P-C4'-P energy: -4.034 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: 10, replica: 4 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -21.079238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.079238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.079238 (E_RNA) where: Base-Base interactions energy: -6.549 where: short stacking energy: -6.549 Base-Backbone interact. energy: -0.001 local terms energy: -14.529518 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.930 flat angles P-C4'-P energy: -1.704 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: 1, replica: 9 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -31.021151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.021151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.021151 (E_RNA) where: Base-Base interactions energy: -11.594 where: short stacking energy: -11.594 Base-Backbone interact. energy: -0.000 local terms energy: -19.426886 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -4.839 flat angles C4'-P-C4' energy: -4.256 flat angles P-C4'-P energy: -2.822 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: 2, replica: 3 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -28.075267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.075267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.075267 (E_RNA) where: Base-Base interactions energy: -9.543 where: short stacking energy: -9.543 Base-Backbone interact. energy: -0.098 local terms energy: -18.434523 where: bonds (distance) C4'-P energy: -3.451 bonds (distance) P-C4' energy: -3.944 flat angles C4'-P-C4' energy: -4.820 flat angles P-C4'-P energy: -3.363 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: 3, replica: 10 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -24.845239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.845239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.845239 (E_RNA) where: Base-Base interactions energy: -6.984 where: short stacking energy: -6.984 Base-Backbone interact. energy: -0.000 local terms energy: -17.860764 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.078 flat angles P-C4'-P energy: -1.877 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: 7 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -29.687638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.687638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.687638 (E_RNA) where: Base-Base interactions energy: -11.463 where: short stacking energy: -11.463 Base-Backbone interact. energy: -0.000 local terms energy: -18.224682 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.305 flat angles P-C4'-P energy: -2.384 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: 5, replica: 2 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -24.606789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.606789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.606789 (E_RNA) where: Base-Base interactions energy: -6.512 where: short stacking energy: -6.512 Base-Backbone interact. energy: -0.000 local terms energy: -18.094471 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.506 flat angles P-C4'-P energy: -4.014 tors. eta vs tors. theta energy: -1.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -26.727562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.727562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.727562 (E_RNA) where: Base-Base interactions energy: -8.151 where: short stacking energy: -8.151 Base-Backbone interact. energy: -0.000 local terms energy: -18.576776 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -3.790 flat angles C4'-P-C4' energy: -4.050 flat angles P-C4'-P energy: -3.156 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: 7, replica: 6 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -21.298698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.298698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.298698 (E_RNA) where: Base-Base interactions energy: -6.674 where: short stacking energy: -6.674 Base-Backbone interact. energy: -0.029 local terms energy: -14.595715 where: bonds (distance) C4'-P energy: -3.575 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -2.935 flat angles P-C4'-P energy: -2.570 tors. eta vs tors. theta energy: -0.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -25.014891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.014891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.014891 (E_RNA) where: Base-Base interactions energy: -7.428 where: short stacking energy: -7.428 Base-Backbone interact. energy: -0.000 local terms energy: -17.586991 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -2.913 flat angles P-C4'-P energy: -2.686 tors. eta vs tors. theta energy: -2.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -23.424086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.424086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.424086 (E_RNA) where: Base-Base interactions energy: -6.484 where: short stacking energy: -6.484 Base-Backbone interact. energy: -0.096 local terms energy: -16.844211 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.854 flat angles P-C4'-P energy: -1.893 tors. eta vs tors. theta energy: -0.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -20.410762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.410762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.410762 (E_RNA) where: Base-Base interactions energy: -3.879 where: short stacking energy: -3.627 Base-Backbone interact. energy: -0.006 local terms energy: -16.526653 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.694 flat angles P-C4'-P energy: -2.474 tors. eta vs tors. theta energy: -0.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -24.738639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.738639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.738639 (E_RNA) where: Base-Base interactions energy: -7.849 where: short stacking energy: -7.849 Base-Backbone interact. energy: -0.058 local terms energy: -16.832235 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -2.975 flat angles P-C4'-P energy: -1.783 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: 2, replica: 10 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -25.336781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.336781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.336781 (E_RNA) where: Base-Base interactions energy: -7.432 where: short stacking energy: -7.432 Base-Backbone interact. energy: -0.673 local terms energy: -17.231746 where: bonds (distance) C4'-P energy: -2.415 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.256 flat angles P-C4'-P energy: -3.423 tors. eta vs tors. theta energy: -2.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -24.989651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.989651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.989651 (E_RNA) where: Base-Base interactions energy: -6.625 where: short stacking energy: -6.625 Base-Backbone interact. energy: -0.000 local terms energy: -18.364946 where: bonds (distance) C4'-P energy: -3.479 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -4.555 flat angles P-C4'-P energy: -3.666 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: 4, replica: 2 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -22.518831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.518831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.518831 (E_RNA) where: Base-Base interactions energy: -3.074 where: short stacking energy: -3.074 Base-Backbone interact. energy: -0.000 local terms energy: -19.444563 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.770 flat angles P-C4'-P energy: -3.816 tors. eta vs tors. theta energy: -1.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -24.196533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.196533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.196533 (E_RNA) where: Base-Base interactions energy: -6.581 where: short stacking energy: -6.581 Base-Backbone interact. energy: -0.000 local terms energy: -17.615010 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -3.796 flat angles P-C4'-P energy: -3.813 tors. eta vs tors. theta energy: -1.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -26.645256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.645256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.645256 (E_RNA) where: Base-Base interactions energy: -7.379 where: short stacking energy: -7.379 Base-Backbone interact. energy: -0.100 local terms energy: -19.166476 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -3.987 flat angles C4'-P-C4' energy: -4.233 flat angles P-C4'-P energy: -3.631 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: 5 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -21.326604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.326604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.326604 (E_RNA) where: Base-Base interactions energy: -5.897 where: short stacking energy: -5.897 Base-Backbone interact. energy: -0.092 local terms energy: -15.338029 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -3.784 flat angles C4'-P-C4' energy: -4.011 flat angles P-C4'-P energy: -2.824 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: 4 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -22.439190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.439190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.439190 (E_RNA) where: Base-Base interactions energy: -7.404 where: short stacking energy: -7.404 Base-Backbone interact. energy: -0.001 local terms energy: -15.034111 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -4.572 flat angles C4'-P-C4' energy: -3.726 flat angles P-C4'-P energy: -2.139 tors. eta vs tors. theta energy: -0.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -23.987900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.987900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.987900 (E_RNA) where: Base-Base interactions energy: -7.984 where: short stacking energy: -7.984 Base-Backbone interact. energy: -0.020 local terms energy: -15.983880 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.599 flat angles P-C4'-P energy: -1.611 tors. eta vs tors. theta energy: -0.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -19.521864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.521864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.521864 (E_RNA) where: Base-Base interactions energy: -4.657 where: short stacking energy: -4.657 Base-Backbone interact. energy: -0.000 local terms energy: -14.864294 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -3.096 flat angles C4'-P-C4' energy: -4.150 flat angles P-C4'-P energy: -3.069 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: 1, replica: 10 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -25.865452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.865452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.865452 (E_RNA) where: Base-Base interactions energy: -7.740 where: short stacking energy: -7.740 Base-Backbone interact. energy: -0.049 local terms energy: -18.076572 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.343 flat angles C4'-P-C4' energy: -3.182 flat angles P-C4'-P energy: -2.958 tors. eta vs tors. theta energy: -3.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -26.059719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.059719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.059719 (E_RNA) where: Base-Base interactions energy: -6.638 where: short stacking energy: -6.638 Base-Backbone interact. energy: -0.088 local terms energy: -19.333223 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.188 flat angles P-C4'-P energy: -3.483 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: 3, replica: 2 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -25.780054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.780054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.780054 (E_RNA) where: Base-Base interactions energy: -6.440 where: short stacking energy: -6.440 Base-Backbone interact. energy: -0.000 local terms energy: -19.340057 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -4.854 flat angles P-C4'-P energy: -3.123 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: 4, replica: 3 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -22.973646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.973646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.973646 (E_RNA) where: Base-Base interactions energy: -6.146 where: short stacking energy: -6.146 Base-Backbone interact. energy: -0.097 local terms energy: -16.731056 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.168 flat angles P-C4'-P energy: -2.776 tors. eta vs tors. theta energy: -0.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -22.627386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.627386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.627386 (E_RNA) where: Base-Base interactions energy: -5.230 where: short stacking energy: -5.230 Base-Backbone interact. energy: -0.000 local terms energy: -17.397530 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -3.723 flat angles C4'-P-C4' energy: -4.154 flat angles P-C4'-P energy: -1.700 tors. eta vs tors. theta energy: -3.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -21.524779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.524779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.524779 (E_RNA) where: Base-Base interactions energy: -4.718 where: short stacking energy: -4.718 Base-Backbone interact. energy: -0.005 local terms energy: -16.802199 where: bonds (distance) C4'-P energy: -2.681 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.820 flat angles P-C4'-P energy: -2.921 tors. eta vs tors. theta energy: -1.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -22.100326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.100326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.100326 (E_RNA) where: Base-Base interactions energy: -4.051 where: short stacking energy: -4.051 Base-Backbone interact. energy: -0.393 local terms energy: -17.656514 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.751 flat angles P-C4'-P energy: -2.426 tors. eta vs tors. theta energy: -2.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -19.079344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.079344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.079344 (E_RNA) where: Base-Base interactions energy: -5.669 where: short stacking energy: -5.669 Base-Backbone interact. energy: -0.000 local terms energy: -13.410546 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -1.814 flat angles P-C4'-P energy: -3.766 tors. eta vs tors. theta energy: 0.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -25.178328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.178328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.178328 (E_RNA) where: Base-Base interactions energy: -6.982 where: short stacking energy: -6.982 Base-Backbone interact. energy: -0.003 local terms energy: -18.192851 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.479 flat angles P-C4'-P energy: -2.980 tors. eta vs tors. theta energy: -1.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -19.590586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.590586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.590586 (E_RNA) where: Base-Base interactions energy: -5.900 where: short stacking energy: -5.900 Base-Backbone interact. energy: -0.001 local terms energy: -13.690150 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -2.538 flat angles P-C4'-P energy: -1.372 tors. eta vs tors. theta energy: -1.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -30.404516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.404516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.404516 (E_RNA) where: Base-Base interactions energy: -11.133 where: short stacking energy: -11.133 Base-Backbone interact. energy: -0.000 local terms energy: -19.271856 where: bonds (distance) C4'-P energy: -3.708 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.657 flat angles P-C4'-P energy: -2.255 tors. eta vs tors. theta energy: -3.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -24.104202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.104202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.104202 (E_RNA) where: Base-Base interactions energy: -4.109 where: short stacking energy: -4.109 Base-Backbone interact. energy: -0.032 local terms energy: -19.963302 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.543 flat angles P-C4'-P energy: -3.077 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: 3, replica: 9 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -24.765651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.765651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.765651 (E_RNA) where: Base-Base interactions energy: -7.393 where: short stacking energy: -7.393 Base-Backbone interact. energy: -0.000 local terms energy: -17.372918 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.762 flat angles P-C4'-P energy: -1.466 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: 6 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -26.887270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.887270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.887270 (E_RNA) where: Base-Base interactions energy: -9.143 where: short stacking energy: -9.143 Base-Backbone interact. energy: -0.000 local terms energy: -17.744081 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.466 flat angles P-C4'-P energy: -2.100 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: 3 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -23.902424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.902424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.902424 (E_RNA) where: Base-Base interactions energy: -7.556 where: short stacking energy: -7.556 Base-Backbone interact. energy: -0.008 local terms energy: -16.338426 where: bonds (distance) C4'-P energy: -4.270 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.447 flat angles P-C4'-P energy: -3.239 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: 133 Temperature: 1.150000 Total energy: -25.551045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.551045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.551045 (E_RNA) where: Base-Base interactions energy: -8.563 where: short stacking energy: -8.563 Base-Backbone interact. energy: -0.000 local terms energy: -16.987495 where: bonds (distance) C4'-P energy: -2.130 bonds (distance) P-C4' energy: -4.180 flat angles C4'-P-C4' energy: -3.150 flat angles P-C4'-P energy: -2.829 tors. eta vs tors. theta energy: -4.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -22.581102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.581102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.581102 (E_RNA) where: Base-Base interactions energy: -7.933 where: short stacking energy: -7.933 Base-Backbone interact. energy: -0.000 local terms energy: -14.647307 where: bonds (distance) C4'-P energy: -2.387 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.485 flat angles P-C4'-P energy: -2.738 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: 8, replica: 8 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -24.924185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.924185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.924185 (E_RNA) where: Base-Base interactions energy: -8.178 where: short stacking energy: -8.178 Base-Backbone interact. energy: -0.000 local terms energy: -16.745735 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.350 flat angles P-C4'-P energy: -3.455 tors. eta vs tors. theta energy: -0.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -22.093985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.093985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.093985 (E_RNA) where: Base-Base interactions energy: -8.658 where: short stacking energy: -8.658 Base-Backbone interact. energy: -0.000 local terms energy: -13.436099 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -2.873 flat angles C4'-P-C4' energy: -2.012 flat angles P-C4'-P energy: -2.468 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: 10, replica: 1 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -21.348257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.348257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.348257 (E_RNA) where: Base-Base interactions energy: -6.680 where: short stacking energy: -6.680 Base-Backbone interact. energy: -0.000 local terms energy: -14.668037 where: bonds (distance) C4'-P energy: -3.451 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -2.182 flat angles P-C4'-P energy: -3.624 tors. eta vs tors. theta energy: -0.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -23.657691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.657691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.657691 (E_RNA) where: Base-Base interactions energy: -7.056 where: short stacking energy: -7.056 Base-Backbone interact. energy: -0.000 local terms energy: -16.601896 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.573 flat angles P-C4'-P energy: -2.279 tors. eta vs tors. theta energy: -0.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -27.992985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.992985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.992985 (E_RNA) where: Base-Base interactions energy: -10.247 where: short stacking energy: -10.247 Base-Backbone interact. energy: -0.000 local terms energy: -17.745749 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -3.015 flat angles P-C4'-P energy: -2.702 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: 6 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -25.482750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.482750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.482750 (E_RNA) where: Base-Base interactions energy: -7.783 where: short stacking energy: -7.783 Base-Backbone interact. energy: -0.000 local terms energy: -17.699765 where: bonds (distance) C4'-P energy: -3.152 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.852 flat angles P-C4'-P energy: -2.774 tors. eta vs tors. theta energy: -2.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -24.086008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.086008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.086008 (E_RNA) where: Base-Base interactions energy: -8.279 where: short stacking energy: -8.279 Base-Backbone interact. energy: -0.000 local terms energy: -15.806610 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -1.907 flat angles P-C4'-P energy: -3.625 tors. eta vs tors. theta energy: -1.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -29.471515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.471515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.471515 (E_RNA) where: Base-Base interactions energy: -10.832 where: short stacking energy: -10.832 Base-Backbone interact. energy: -0.000 local terms energy: -18.639296 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -3.312 flat angles C4'-P-C4' energy: -3.784 flat angles P-C4'-P energy: -2.724 tors. eta vs tors. theta energy: -4.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -24.415348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.415348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.415348 (E_RNA) where: Base-Base interactions energy: -7.467 where: short stacking energy: -7.467 Base-Backbone interact. energy: -0.000 local terms energy: -16.948104 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -3.790 flat angles C4'-P-C4' energy: -2.626 flat angles P-C4'-P energy: -3.567 tors. eta vs tors. theta energy: -2.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -21.906004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.906004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.906004 (E_RNA) where: Base-Base interactions energy: -7.471 where: short stacking energy: -7.471 Base-Backbone interact. energy: -0.009 local terms energy: -14.426288 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -3.557 flat angles C4'-P-C4' energy: -3.568 flat angles P-C4'-P energy: -1.705 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: 8, replica: 7 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -24.268179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.268179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.268179 (E_RNA) where: Base-Base interactions energy: -6.751 where: short stacking energy: -6.751 Base-Backbone interact. energy: -0.000 local terms energy: -17.517265 where: bonds (distance) C4'-P energy: -2.696 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.227 flat angles P-C4'-P energy: -2.769 tors. eta vs tors. theta energy: -3.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -26.601956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.601956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.601956 (E_RNA) where: Base-Base interactions energy: -9.189 where: short stacking energy: -9.189 Base-Backbone interact. energy: -0.000 local terms energy: -17.413323 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -3.211 flat angles C4'-P-C4' energy: -3.869 flat angles P-C4'-P energy: -3.387 tors. eta vs tors. theta energy: -2.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -17.369102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.369102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.369102 (E_RNA) where: Base-Base interactions energy: -3.288 where: short stacking energy: -3.423 Base-Backbone interact. energy: -0.034 local terms energy: -14.046761 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -3.643 flat angles C4'-P-C4' energy: -4.070 flat angles P-C4'-P energy: -3.691 tors. eta vs tors. theta energy: 0.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -28.019777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.019777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.019777 (E_RNA) where: Base-Base interactions energy: -10.408 where: short stacking energy: -10.408 Base-Backbone interact. energy: -0.000 local terms energy: -17.611769 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.376 flat angles P-C4'-P energy: -3.290 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: 2, replica: 6 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -23.430301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.430301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.430301 (E_RNA) where: Base-Base interactions energy: -7.544 where: short stacking energy: -7.544 Base-Backbone interact. energy: -0.045 local terms energy: -15.841280 where: bonds (distance) C4'-P energy: -3.869 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.080 flat angles P-C4'-P energy: -1.593 tors. eta vs tors. theta energy: -0.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -22.246819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.246819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.246819 (E_RNA) where: Base-Base interactions energy: -3.636 where: short stacking energy: -3.636 Base-Backbone interact. energy: -0.206 local terms energy: -18.404348 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.888 flat angles P-C4'-P energy: -2.845 tors. eta vs tors. theta energy: -1.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -25.408158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.408158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.408158 (E_RNA) where: Base-Base interactions energy: -9.699 where: short stacking energy: -9.699 Base-Backbone interact. energy: -0.000 local terms energy: -15.708655 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.040 flat angles C4'-P-C4' energy: -4.334 flat angles P-C4'-P energy: -1.321 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: 5, replica: 9 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -23.584646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.584646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.584646 (E_RNA) where: Base-Base interactions energy: -4.126 where: short stacking energy: -4.099 Base-Backbone interact. energy: -0.000 local terms energy: -19.458880 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.229 flat angles P-C4'-P energy: -2.989 tors. eta vs tors. theta energy: -2.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -23.711191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.711191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.711191 (E_RNA) where: Base-Base interactions energy: -7.341 where: short stacking energy: -7.341 Base-Backbone interact. energy: -0.000 local terms energy: -16.370326 where: bonds (distance) C4'-P energy: -1.463 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -2.355 flat angles P-C4'-P energy: -3.614 tors. eta vs tors. theta energy: -3.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -23.147569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.147569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.147569 (E_RNA) where: Base-Base interactions energy: -6.937 where: short stacking energy: -6.937 Base-Backbone interact. energy: -0.000 local terms energy: -16.210793 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -2.973 flat angles P-C4'-P energy: -1.333 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: 8, replica: 1 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -24.107745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.107745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.107745 (E_RNA) where: Base-Base interactions energy: -7.017 where: short stacking energy: -7.017 Base-Backbone interact. energy: -0.000 local terms energy: -17.090789 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.731 flat angles P-C4'-P energy: -3.459 tors. eta vs tors. theta energy: -0.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -23.582477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.582477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.582477 (E_RNA) where: Base-Base interactions energy: -5.056 where: short stacking energy: -5.056 Base-Backbone interact. energy: -0.001 local terms energy: -18.525426 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.955 flat angles P-C4'-P energy: -2.643 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: 4 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -24.782429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.782429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.782429 (E_RNA) where: Base-Base interactions energy: -10.075 where: short stacking energy: -10.075 Base-Backbone interact. energy: -0.001 local terms energy: -14.706532 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -2.103 flat angles C4'-P-C4' energy: -4.681 flat angles P-C4'-P energy: -2.511 tors. eta vs tors. theta energy: -1.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -29.855767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.855767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.855767 (E_RNA) where: Base-Base interactions energy: -11.952 where: short stacking energy: -12.020 Base-Backbone interact. energy: -0.034 local terms energy: -17.870002 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.335 flat angles P-C4'-P energy: -1.565 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: 2, replica: 2 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -26.365952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.365952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.365952 (E_RNA) where: Base-Base interactions energy: -7.123 where: short stacking energy: -7.123 Base-Backbone interact. energy: -0.000 local terms energy: -19.242760 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -4.674 flat angles P-C4'-P energy: -2.845 tors. eta vs tors. theta energy: -3.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -30.636732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.636732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.636732 (E_RNA) where: Base-Base interactions energy: -9.624 where: short stacking energy: -9.624 Base-Backbone interact. energy: -0.000 local terms energy: -21.012603 where: bonds (distance) C4'-P energy: -3.869 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.025 flat angles P-C4'-P energy: -3.843 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: 4, replica: 10 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -26.083531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.083531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.083531 (E_RNA) where: Base-Base interactions energy: -8.550 where: short stacking energy: -8.550 Base-Backbone interact. energy: -0.000 local terms energy: -17.533652 where: bonds (distance) C4'-P energy: -3.344 bonds (distance) P-C4' energy: -4.373 flat angles C4'-P-C4' energy: -4.570 flat angles P-C4'-P energy: -1.726 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: 5, replica: 8 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -25.850355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.850355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.850355 (E_RNA) where: Base-Base interactions energy: -7.723 where: short stacking energy: -7.723 Base-Backbone interact. energy: -0.000 local terms energy: -18.127499 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -2.253 flat angles P-C4'-P energy: -2.560 tors. eta vs tors. theta energy: -4.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -24.534118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.534118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.534118 (E_RNA) where: Base-Base interactions energy: -7.801 where: short stacking energy: -7.801 Base-Backbone interact. energy: -0.000 local terms energy: -16.733421 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.614 flat angles P-C4'-P energy: -1.639 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: 1 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -22.790550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.790550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.790550 (E_RNA) where: Base-Base interactions energy: -9.098 where: short stacking energy: -9.098 Base-Backbone interact. energy: -0.059 local terms energy: -13.633702 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -3.128 flat angles C4'-P-C4' energy: -2.768 flat angles P-C4'-P energy: -1.598 tors. eta vs tors. theta energy: -2.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -24.873512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.873512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.873512 (E_RNA) where: Base-Base interactions energy: -7.975 where: short stacking energy: -7.975 Base-Backbone interact. energy: -0.001 local terms energy: -16.898121 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.460 flat angles P-C4'-P energy: -3.188 tors. eta vs tors. theta energy: -0.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -21.390233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.390233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.390233 (E_RNA) where: Base-Base interactions energy: -4.101 where: short stacking energy: -4.101 Base-Backbone interact. energy: -0.006 local terms energy: -17.282976 where: bonds (distance) C4'-P energy: -2.449 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.253 flat angles P-C4'-P energy: -3.805 tors. eta vs tors. theta energy: -1.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -20.442852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.442852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.442852 (E_RNA) where: Base-Base interactions energy: -3.204 where: short stacking energy: -3.204 Base-Backbone interact. energy: -0.000 local terms energy: -17.238909 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.311 flat angles P-C4'-P energy: -4.071 tors. eta vs tors. theta energy: -0.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -26.709241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.709241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.709241 (E_RNA) where: Base-Base interactions energy: -8.409 where: short stacking energy: -8.409 Base-Backbone interact. energy: -0.000 local terms energy: -18.300056 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.324 flat angles P-C4'-P energy: -2.829 tors. eta vs tors. theta energy: -2.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -25.583059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.583059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.583059 (E_RNA) where: Base-Base interactions energy: -8.936 where: short stacking energy: -8.936 Base-Backbone interact. energy: -0.000 local terms energy: -16.646636 where: bonds (distance) C4'-P energy: -2.121 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.089 flat angles P-C4'-P energy: -2.913 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: 2 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -24.881656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.881656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.881656 (E_RNA) where: Base-Base interactions energy: -6.828 where: short stacking energy: -6.828 Base-Backbone interact. energy: -0.089 local terms energy: -17.964024 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.177 flat angles P-C4'-P energy: -3.638 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: 4, replica: 8 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -26.127634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.127634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.127634 (E_RNA) where: Base-Base interactions energy: -7.629 where: short stacking energy: -7.629 Base-Backbone interact. energy: -0.000 local terms energy: -18.498108 where: bonds (distance) C4'-P energy: -1.057 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.331 flat angles P-C4'-P energy: -3.595 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: 5, replica: 10 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -21.856118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.856118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.856118 (E_RNA) where: Base-Base interactions energy: -5.665 where: short stacking energy: -5.665 Base-Backbone interact. energy: -0.000 local terms energy: -16.191058 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -2.690 flat angles P-C4'-P energy: -1.675 tors. eta vs tors. theta energy: -1.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -21.369551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.369551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.369551 (E_RNA) where: Base-Base interactions energy: -3.943 where: short stacking energy: -3.943 Base-Backbone interact. energy: -0.034 local terms energy: -17.393157 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.481 flat angles P-C4'-P energy: -3.376 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: 7, replica: 9 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -21.843315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.843315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.843315 (E_RNA) where: Base-Base interactions energy: -7.151 where: short stacking energy: -7.151 Base-Backbone interact. energy: -0.073 local terms energy: -14.619281 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -3.134 flat angles C4'-P-C4' energy: -4.279 flat angles P-C4'-P energy: -2.796 tors. eta vs tors. theta energy: 0.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -22.060785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.060785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.060785 (E_RNA) where: Base-Base interactions energy: -5.348 where: short stacking energy: -5.348 Base-Backbone interact. energy: -0.007 local terms energy: -16.706136 where: bonds (distance) C4'-P energy: -4.742 bonds (distance) P-C4' energy: -3.360 flat angles C4'-P-C4' energy: -4.093 flat angles P-C4'-P energy: -3.881 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: 9, replica: 3 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -22.651615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.651615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.651615 (E_RNA) where: Base-Base interactions energy: -5.871 where: short stacking energy: -5.871 Base-Backbone interact. energy: -0.000 local terms energy: -16.780318 where: bonds (distance) C4'-P energy: -3.301 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.235 flat angles P-C4'-P energy: -3.369 tors. eta vs tors. theta energy: -0.989 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: 7 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -26.474535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.474535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.474535 (E_RNA) where: Base-Base interactions energy: -9.340 where: short stacking energy: -9.340 Base-Backbone interact. energy: -0.000 local terms energy: -17.134203 where: bonds (distance) C4'-P energy: -1.137 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -3.785 flat angles P-C4'-P energy: -3.873 tors. eta vs tors. theta energy: -3.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -27.781564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.781564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.781564 (E_RNA) where: Base-Base interactions energy: -7.725 where: short stacking energy: -7.725 Base-Backbone interact. energy: -0.000 local terms energy: -20.056781 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -4.456 flat angles P-C4'-P energy: -2.665 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: 6 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -32.037685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.037685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.037685 (E_RNA) where: Base-Base interactions energy: -10.561 where: short stacking energy: -10.561 Base-Backbone interact. energy: -0.000 local terms energy: -21.476631 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.398 flat angles P-C4'-P energy: -3.435 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: 3, replica: 2 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -29.751536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.751536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.751536 (E_RNA) where: Base-Base interactions energy: -10.197 where: short stacking energy: -10.197 Base-Backbone interact. energy: -0.000 local terms energy: -19.553968 where: bonds (distance) C4'-P energy: -3.335 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.256 flat angles P-C4'-P energy: -3.404 tors. eta vs tors. theta energy: -3.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -23.527573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.527573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.527573 (E_RNA) where: Base-Base interactions energy: -6.927 where: short stacking energy: -6.927 Base-Backbone interact. energy: -0.090 local terms energy: -16.510390 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.025 flat angles P-C4'-P energy: -3.429 tors. eta vs tors. theta energy: -0.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -23.087672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.087672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.087672 (E_RNA) where: Base-Base interactions energy: -7.352 where: short stacking energy: -7.352 Base-Backbone interact. energy: -0.000 local terms energy: -15.735416 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.537 flat angles P-C4'-P energy: -2.396 tors. eta vs tors. theta energy: -1.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -25.848650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.848650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.848650 (E_RNA) where: Base-Base interactions energy: -9.225 where: short stacking energy: -9.225 Base-Backbone interact. energy: -0.000 local terms energy: -16.623515 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.923 flat angles P-C4'-P energy: -1.953 tors. eta vs tors. theta energy: -2.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -22.634036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.634036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.634036 (E_RNA) where: Base-Base interactions energy: -5.204 where: short stacking energy: -5.204 Base-Backbone interact. energy: -0.000 local terms energy: -17.429567 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.684 flat angles P-C4'-P energy: -2.075 tors. eta vs tors. theta energy: -1.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -21.262662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.262662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.262662 (E_RNA) where: Base-Base interactions energy: -4.933 where: short stacking energy: -4.933 Base-Backbone interact. energy: -0.067 local terms energy: -16.262513 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.417 flat angles P-C4'-P energy: -2.669 tors. eta vs tors. theta energy: -0.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -24.357624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.357624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.357624 (E_RNA) where: Base-Base interactions energy: -7.509 where: short stacking energy: -7.509 Base-Backbone interact. energy: -0.000 local terms energy: -16.847981 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -2.386 flat angles P-C4'-P energy: -2.131 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: 3 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -21.221160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.221160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.221160 (E_RNA) where: Base-Base interactions energy: -6.116 where: short stacking energy: -6.116 Base-Backbone interact. energy: -0.010 local terms energy: -15.095156 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -3.891 flat angles P-C4'-P energy: -1.282 tors. eta vs tors. theta energy: -0.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -28.437169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.437169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.437169 (E_RNA) where: Base-Base interactions energy: -9.971 where: short stacking energy: -9.971 Base-Backbone interact. energy: -0.001 local terms energy: -18.465189 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.570 flat angles P-C4'-P energy: -3.318 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: 2, replica: 2 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -28.038358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.038358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.038358 (E_RNA) where: Base-Base interactions energy: -9.610 where: short stacking energy: -9.610 Base-Backbone interact. energy: -0.000 local terms energy: -18.428399 where: bonds (distance) C4'-P energy: -4.270 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.334 flat angles P-C4'-P energy: -1.605 tors. eta vs tors. theta energy: -3.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -24.179893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.179893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.179893 (E_RNA) where: Base-Base interactions energy: -6.968 where: short stacking energy: -6.968 Base-Backbone interact. energy: -0.000 local terms energy: -17.211622 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.152 flat angles P-C4'-P energy: -2.283 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: 4, replica: 1 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -24.654386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.654386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.654386 (E_RNA) where: Base-Base interactions energy: -7.297 where: short stacking energy: -7.297 Base-Backbone interact. energy: -0.000 local terms energy: -17.357114 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -3.981 flat angles C4'-P-C4' energy: -4.869 flat angles P-C4'-P energy: -2.654 tors. eta vs tors. theta energy: -1.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -27.293251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.293251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.293251 (E_RNA) where: Base-Base interactions energy: -9.625 where: short stacking energy: -9.625 Base-Backbone interact. energy: -0.000 local terms energy: -17.668328 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -1.642 flat angles P-C4'-P energy: -2.239 tors. eta vs tors. theta energy: -4.267 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: 4 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -29.719324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.719324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.719324 (E_RNA) where: Base-Base interactions energy: -10.594 where: short stacking energy: -11.037 Base-Backbone interact. energy: -0.000 local terms energy: -19.124833 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -3.818 flat angles C4'-P-C4' energy: -4.604 flat angles P-C4'-P energy: -3.509 tors. eta vs tors. theta energy: -3.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -24.378440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.378440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.378440 (E_RNA) where: Base-Base interactions energy: -5.214 where: short stacking energy: -5.214 Base-Backbone interact. energy: -0.000 local terms energy: -19.164865 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.027 flat angles P-C4'-P energy: -2.109 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: 8, replica: 7 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -22.229244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.229244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.229244 (E_RNA) where: Base-Base interactions energy: -3.589 where: short stacking energy: -3.589 Base-Backbone interact. energy: -0.000 local terms energy: -18.639700 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -3.607 flat angles P-C4'-P energy: -2.564 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: 9 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -18.132089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.132089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.132089 (E_RNA) where: Base-Base interactions energy: -3.546 where: short stacking energy: -3.546 Base-Backbone interact. energy: -0.063 local terms energy: -14.522523 where: bonds (distance) C4'-P energy: -2.759 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -2.542 flat angles P-C4'-P energy: -3.740 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: 10, replica: 3 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -19.872724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.872724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.872724 (E_RNA) where: Base-Base interactions energy: -6.748 where: short stacking energy: -6.748 Base-Backbone interact. energy: -0.002 local terms energy: -13.122658 where: bonds (distance) C4'-P energy: -2.788 bonds (distance) P-C4' energy: -4.339 flat angles C4'-P-C4' energy: -4.855 flat angles P-C4'-P energy: -1.612 tors. eta vs tors. theta energy: 0.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -29.582100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.582100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.582100 (E_RNA) where: Base-Base interactions energy: -11.026 where: short stacking energy: -11.026 Base-Backbone interact. energy: -0.000 local terms energy: -18.555703 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -3.751 flat angles C4'-P-C4' energy: -3.292 flat angles P-C4'-P energy: -3.740 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: 2, replica: 5 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -26.313515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.313515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.313515 (E_RNA) where: Base-Base interactions energy: -7.652 where: short stacking energy: -7.652 Base-Backbone interact. energy: -0.057 local terms energy: -18.604123 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -3.898 flat angles P-C4'-P energy: -3.453 tors. eta vs tors. theta energy: -2.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -28.503948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.503948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.503948 (E_RNA) where: Base-Base interactions energy: -7.749 where: short stacking energy: -7.749 Base-Backbone interact. energy: -0.004 local terms energy: -20.751502 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.167 flat angles P-C4'-P energy: -2.916 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: 4, replica: 6 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -22.509897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.509897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.509897 (E_RNA) where: Base-Base interactions energy: -2.251 where: short stacking energy: -2.251 Base-Backbone interact. energy: -0.000 local terms energy: -20.258885 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.899 flat angles P-C4'-P energy: -3.168 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: 5, replica: 4 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -24.233358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.233358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.233358 (E_RNA) where: Base-Base interactions energy: -6.740 where: short stacking energy: -6.740 Base-Backbone interact. energy: -0.000 local terms energy: -17.492961 where: bonds (distance) C4'-P energy: -3.309 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.330 flat angles P-C4'-P energy: -3.881 tors. eta vs tors. theta energy: -0.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -23.089403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.089403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.089403 (E_RNA) where: Base-Base interactions energy: -7.247 where: short stacking energy: -7.247 Base-Backbone interact. energy: -0.000 local terms energy: -15.842008 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.073 flat angles P-C4'-P energy: -2.257 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: 7, replica: 7 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -23.009953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.009953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.009953 (E_RNA) where: Base-Base interactions energy: -6.554 where: short stacking energy: -6.554 Base-Backbone interact. energy: -0.000 local terms energy: -16.455427 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.234 flat angles P-C4'-P energy: -1.936 tors. eta vs tors. theta energy: -1.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -24.808363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.808363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.808363 (E_RNA) where: Base-Base interactions energy: -8.342 where: short stacking energy: -8.342 Base-Backbone interact. energy: -0.000 local terms energy: -16.466847 where: bonds (distance) C4'-P energy: -3.451 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -2.807 flat angles P-C4'-P energy: -2.965 tors. eta vs tors. theta energy: -2.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -21.456896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.456896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.456896 (E_RNA) where: Base-Base interactions energy: -5.621 where: short stacking energy: -5.621 Base-Backbone interact. energy: -0.000 local terms energy: -15.835470 where: bonds (distance) C4'-P energy: -3.277 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -3.390 flat angles P-C4'-P energy: -2.901 tors. eta vs tors. theta energy: -2.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -20.012339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.012339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.012339 (E_RNA) where: Base-Base interactions energy: -2.872 where: short stacking energy: -2.872 Base-Backbone interact. energy: -0.001 local terms energy: -17.140024 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.078 flat angles C4'-P-C4' energy: -3.362 flat angles P-C4'-P energy: -2.463 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: 141 Temperature: 0.900000 Total energy: -27.707381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.707381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.707381 (E_RNA) where: Base-Base interactions energy: -11.927 where: short stacking energy: -11.927 Base-Backbone interact. energy: -0.028 local terms energy: -15.752665 where: bonds (distance) C4'-P energy: -3.277 bonds (distance) P-C4' energy: -3.515 flat angles C4'-P-C4' energy: -3.811 flat angles P-C4'-P energy: -3.568 tors. eta vs tors. theta energy: -1.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -29.385275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.385275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.385275 (E_RNA) where: Base-Base interactions energy: -10.377 where: short stacking energy: -10.377 Base-Backbone interact. energy: -0.000 local terms energy: -19.007986 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.095 flat angles P-C4'-P energy: -3.112 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: 3, replica: 5 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -26.415102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.415102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.415102 (E_RNA) where: Base-Base interactions energy: -11.678 where: short stacking energy: -11.678 Base-Backbone interact. energy: -0.000 local terms energy: -14.737455 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.339 flat angles C4'-P-C4' energy: -2.866 flat angles P-C4'-P energy: -2.866 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: 4, replica: 4 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -22.911898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.911898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.911898 (E_RNA) where: Base-Base interactions energy: -4.848 where: short stacking energy: -4.848 Base-Backbone interact. energy: -0.100 local terms energy: -17.963751 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.842 flat angles C4'-P-C4' energy: -4.659 flat angles P-C4'-P energy: -2.738 tors. eta vs tors. theta energy: -1.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -20.476927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.476927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.476927 (E_RNA) where: Base-Base interactions energy: -4.704 where: short stacking energy: -4.704 Base-Backbone interact. energy: -0.000 local terms energy: -15.773031 where: bonds (distance) C4'-P energy: -3.268 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -2.669 flat angles P-C4'-P energy: -1.571 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: 6, replica: 8 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -26.274442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.274442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.274442 (E_RNA) where: Base-Base interactions energy: -8.593 where: short stacking energy: -8.593 Base-Backbone interact. energy: -0.000 local terms energy: -17.681543 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.398 flat angles P-C4'-P energy: -3.890 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: 7, replica: 7 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -20.459053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.459053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.459053 (E_RNA) where: Base-Base interactions energy: -3.831 where: short stacking energy: -3.831 Base-Backbone interact. energy: -0.100 local terms energy: -16.528075 where: bonds (distance) C4'-P energy: -2.697 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.129 flat angles P-C4'-P energy: -3.158 tors. eta vs tors. theta energy: -1.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -24.347885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.347885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.347885 (E_RNA) where: Base-Base interactions energy: -8.919 where: short stacking energy: -8.919 Base-Backbone interact. energy: -0.000 local terms energy: -15.428748 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -3.292 flat angles P-C4'-P energy: -2.845 tors. eta vs tors. theta energy: -1.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -21.041754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.041754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.041754 (E_RNA) where: Base-Base interactions energy: -2.191 where: short stacking energy: -2.191 Base-Backbone interact. energy: -0.000 local terms energy: -18.850337 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.746 flat angles P-C4'-P energy: -3.306 tors. eta vs tors. theta energy: -1.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -21.957104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.957104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.957104 (E_RNA) where: Base-Base interactions energy: -5.702 where: short stacking energy: -5.702 Base-Backbone interact. energy: -0.000 local terms energy: -16.254642 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.087 flat angles P-C4'-P energy: -1.226 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: 1, replica: 1 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -27.190583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.190583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.190583 (E_RNA) where: Base-Base interactions energy: -7.596 where: short stacking energy: -7.596 Base-Backbone interact. energy: -0.002 local terms energy: -19.592571 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.663 flat angles P-C4'-P energy: -3.289 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: 2, replica: 2 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -28.224975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.224975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.224975 (E_RNA) where: Base-Base interactions energy: -11.429 where: short stacking energy: -11.429 Base-Backbone interact. energy: -0.000 local terms energy: -16.795836 where: bonds (distance) C4'-P energy: -2.689 bonds (distance) P-C4' energy: -4.569 flat angles C4'-P-C4' energy: -3.674 flat angles P-C4'-P energy: -2.974 tors. eta vs tors. theta energy: -2.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -24.770866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.770866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.770866 (E_RNA) where: Base-Base interactions energy: -7.049 where: short stacking energy: -7.049 Base-Backbone interact. energy: -0.037 local terms energy: -17.685051 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -3.197 flat angles P-C4'-P energy: -3.976 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: 4, replica: 5 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -24.611620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.611620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.611620 (E_RNA) where: Base-Base interactions energy: -8.207 where: short stacking energy: -8.207 Base-Backbone interact. energy: -0.000 local terms energy: -16.404256 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.829 flat angles P-C4'-P energy: -1.958 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: 5, replica: 6 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -22.646708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.646708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.646708 (E_RNA) where: Base-Base interactions energy: -6.038 where: short stacking energy: -6.038 Base-Backbone interact. energy: -0.000 local terms energy: -16.608769 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -4.712 flat angles P-C4'-P energy: -2.402 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: 6, replica: 8 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -22.979406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.979406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.979406 (E_RNA) where: Base-Base interactions energy: -5.803 where: short stacking energy: -5.803 Base-Backbone interact. energy: -0.041 local terms energy: -17.135916 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.579 flat angles C4'-P-C4' energy: -4.313 flat angles P-C4'-P energy: -2.574 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: 7, replica: 3 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -24.385930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.385930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.385930 (E_RNA) where: Base-Base interactions energy: -9.237 where: short stacking energy: -9.237 Base-Backbone interact. energy: -0.000 local terms energy: -15.148691 where: bonds (distance) C4'-P energy: -3.335 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -2.593 flat angles P-C4'-P energy: -3.517 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: 7 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -20.529682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.529682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.529682 (E_RNA) where: Base-Base interactions energy: -3.453 where: short stacking energy: -3.453 Base-Backbone interact. energy: -0.000 local terms energy: -17.076417 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -3.248 flat angles P-C4'-P energy: -2.957 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: 9, replica: 9 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -24.356626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.356626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.356626 (E_RNA) where: Base-Base interactions energy: -6.690 where: short stacking energy: -6.690 Base-Backbone interact. energy: -0.002 local terms energy: -17.664847 where: bonds (distance) C4'-P energy: -3.451 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.383 flat angles P-C4'-P energy: -3.663 tors. eta vs tors. theta energy: -1.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -20.695890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.695890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.695890 (E_RNA) where: Base-Base interactions energy: -3.608 where: short stacking energy: -3.608 Base-Backbone interact. energy: -0.000 local terms energy: -17.087416 where: bonds (distance) C4'-P energy: -2.759 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.606 flat angles P-C4'-P energy: -2.839 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: 1, replica: 1 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -25.811097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.811097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.811097 (E_RNA) where: Base-Base interactions energy: -7.996 where: short stacking energy: -8.205 Base-Backbone interact. energy: -0.008 local terms energy: -17.806406 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -4.320 flat angles P-C4'-P energy: -2.202 tors. eta vs tors. theta energy: -2.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -29.697356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.697356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.697356 (E_RNA) where: Base-Base interactions energy: -10.678 where: short stacking energy: -10.678 Base-Backbone interact. energy: -0.000 local terms energy: -19.019380 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.271 flat angles P-C4'-P energy: -1.934 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: 3, replica: 4 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -28.013215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.013215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.013215 (E_RNA) where: Base-Base interactions energy: -8.658 where: short stacking energy: -8.658 Base-Backbone interact. energy: -0.000 local terms energy: -19.355637 where: bonds (distance) C4'-P energy: -3.583 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.604 flat angles P-C4'-P energy: -2.582 tors. eta vs tors. theta energy: -4.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -25.312156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.312156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.312156 (E_RNA) where: Base-Base interactions energy: -9.494 where: short stacking energy: -9.494 Base-Backbone interact. energy: -0.001 local terms energy: -15.817837 where: bonds (distance) C4'-P energy: -1.968 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -3.951 flat angles P-C4'-P energy: -3.236 tors. eta vs tors. theta energy: -1.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -25.261854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.261854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.261854 (E_RNA) where: Base-Base interactions energy: -9.890 where: short stacking energy: -9.890 Base-Backbone interact. energy: -0.000 local terms energy: -15.371030 where: bonds (distance) C4'-P energy: -3.268 bonds (distance) P-C4' energy: -3.981 flat angles C4'-P-C4' energy: -4.583 flat angles P-C4'-P energy: -2.273 tors. eta vs tors. theta energy: -1.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -24.502197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.502197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.502197 (E_RNA) where: Base-Base interactions energy: -7.335 where: short stacking energy: -7.335 Base-Backbone interact. energy: -0.000 local terms energy: -17.167350 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.716 flat angles P-C4'-P energy: -2.702 tors. eta vs tors. theta energy: -0.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -22.843084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.843084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.843084 (E_RNA) where: Base-Base interactions energy: -5.450 where: short stacking energy: -5.450 Base-Backbone interact. energy: -0.000 local terms energy: -17.393222 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -2.887 flat angles P-C4'-P energy: -3.815 tors. eta vs tors. theta energy: -2.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -21.774026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.774026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.774026 (E_RNA) where: Base-Base interactions energy: -4.003 where: short stacking energy: -4.003 Base-Backbone interact. energy: -0.000 local terms energy: -17.771076 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -2.506 flat angles P-C4'-P energy: -3.005 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: 9, replica: 7 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -23.942658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.942658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.942658 (E_RNA) where: Base-Base interactions energy: -8.134 where: short stacking energy: -8.134 Base-Backbone interact. energy: -0.003 local terms energy: -15.806002 where: bonds (distance) C4'-P energy: -1.915 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -4.869 flat angles P-C4'-P energy: -3.070 tors. eta vs tors. theta energy: -1.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -21.446911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.446911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.446911 (E_RNA) where: Base-Base interactions energy: -3.771 where: short stacking energy: -3.771 Base-Backbone interact. energy: -0.000 local terms energy: -17.675864 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.923 flat angles P-C4'-P energy: -3.617 tors. eta vs tors. theta energy: -0.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -27.080499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.080499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.080499 (E_RNA) where: Base-Base interactions energy: -7.720 where: short stacking energy: -7.720 Base-Backbone interact. energy: -0.099 local terms energy: -19.261264 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.044 flat angles P-C4'-P energy: -3.042 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: 2, replica: 1 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -23.814034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.814034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.814034 (E_RNA) where: Base-Base interactions energy: -8.222 where: short stacking energy: -8.222 Base-Backbone interact. energy: -0.020 local terms energy: -15.571714 where: bonds (distance) C4'-P energy: -3.264 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -2.733 flat angles P-C4'-P energy: -3.251 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: 4 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -25.872301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.872301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.872301 (E_RNA) where: Base-Base interactions energy: -7.221 where: short stacking energy: -7.221 Base-Backbone interact. energy: -0.000 local terms energy: -18.651177 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.442 flat angles P-C4'-P energy: -1.670 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: 4, replica: 6 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -29.344960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.344960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.344960 (E_RNA) where: Base-Base interactions energy: -10.949 where: short stacking energy: -10.949 Base-Backbone interact. energy: -0.000 local terms energy: -18.396142 where: bonds (distance) C4'-P energy: -3.567 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.070 flat angles P-C4'-P energy: -3.389 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: 5, replica: 5 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -27.369291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.369291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.369291 (E_RNA) where: Base-Base interactions energy: -10.910 where: short stacking energy: -10.910 Base-Backbone interact. energy: -0.000 local terms energy: -16.459048 where: bonds (distance) C4'-P energy: -3.264 bonds (distance) P-C4' energy: -3.515 flat angles C4'-P-C4' energy: -4.313 flat angles P-C4'-P energy: -2.015 tors. eta vs tors. theta energy: -3.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -24.467591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.467591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.467591 (E_RNA) where: Base-Base interactions energy: -8.170 where: short stacking energy: -8.170 Base-Backbone interact. energy: -0.002 local terms energy: -16.295560 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -2.995 flat angles P-C4'-P energy: -3.545 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: 7, replica: 9 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -22.269366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.269366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.269366 (E_RNA) where: Base-Base interactions energy: -7.579 where: short stacking energy: -7.579 Base-Backbone interact. energy: -0.000 local terms energy: -14.690583 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -3.777 flat angles C4'-P-C4' energy: -3.390 flat angles P-C4'-P energy: -1.952 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: 8, replica: 8 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -25.365398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.365398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.365398 (E_RNA) where: Base-Base interactions energy: -10.441 where: short stacking energy: -10.441 Base-Backbone interact. energy: -0.001 local terms energy: -14.923582 where: bonds (distance) C4'-P energy: -2.316 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -3.572 flat angles P-C4'-P energy: -2.056 tors. eta vs tors. theta energy: -2.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -23.914220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.914220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.914220 (E_RNA) where: Base-Base interactions energy: -8.099 where: short stacking energy: -8.099 Base-Backbone interact. energy: -0.000 local terms energy: -15.815214 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.360 flat angles P-C4'-P energy: -1.571 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: 10, replica: 7 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -24.521772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.521772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.521772 (E_RNA) where: Base-Base interactions energy: -8.081 where: short stacking energy: -8.081 Base-Backbone interact. energy: -0.000 local terms energy: -16.440535 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -1.538 flat angles P-C4'-P energy: -2.960 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: 1, replica: 2 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -27.780104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.780104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.780104 (E_RNA) where: Base-Base interactions energy: -7.865 where: short stacking energy: -7.989 Base-Backbone interact. energy: -0.084 local terms energy: -19.830947 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.717 flat angles P-C4'-P energy: -2.550 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: 1 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -23.026525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.026525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.026525 (E_RNA) where: Base-Base interactions energy: -7.185 where: short stacking energy: -7.185 Base-Backbone interact. energy: -0.045 local terms energy: -15.796067 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.309 flat angles P-C4'-P energy: -1.771 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: 3, replica: 4 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -23.307404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.307404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.307404 (E_RNA) where: Base-Base interactions energy: -8.246 where: short stacking energy: -8.246 Base-Backbone interact. energy: -0.037 local terms energy: -15.024021 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.487 flat angles P-C4'-P energy: -2.244 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: 4, replica: 5 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -26.233335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.233335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.233335 (E_RNA) where: Base-Base interactions energy: -8.659 where: short stacking energy: -8.659 Base-Backbone interact. energy: -0.003 local terms energy: -17.571886 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.820 flat angles P-C4'-P energy: -3.174 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: 5, replica: 6 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -22.016681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.016681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.016681 (E_RNA) where: Base-Base interactions energy: -3.760 where: short stacking energy: -3.760 Base-Backbone interact. energy: -0.082 local terms energy: -18.175045 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -4.653 flat angles P-C4'-P energy: -3.089 tors. eta vs tors. theta energy: -2.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -25.148421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.148421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.148421 (E_RNA) where: Base-Base interactions energy: -8.939 where: short stacking energy: -8.939 Base-Backbone interact. energy: -0.000 local terms energy: -16.209185 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -3.553 flat angles C4'-P-C4' energy: -4.573 flat angles P-C4'-P energy: -2.734 tors. eta vs tors. theta energy: -1.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -25.030099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.030099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.030099 (E_RNA) where: Base-Base interactions energy: -5.982 where: short stacking energy: -5.982 Base-Backbone interact. energy: -0.000 local terms energy: -19.048576 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.434 flat angles P-C4'-P energy: -2.519 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: 8, replica: 8 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -22.301730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.301730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.301730 (E_RNA) where: Base-Base interactions energy: -7.465 where: short stacking energy: -7.465 Base-Backbone interact. energy: -0.000 local terms energy: -14.837037 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.575 flat angles C4'-P-C4' energy: -3.325 flat angles P-C4'-P energy: -1.823 tors. eta vs tors. theta energy: -1.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -22.372588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.372588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.372588 (E_RNA) where: Base-Base interactions energy: -7.044 where: short stacking energy: -7.044 Base-Backbone interact. energy: -0.000 local terms energy: -15.328468 where: bonds (distance) C4'-P energy: -2.900 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.678 flat angles P-C4'-P energy: -1.632 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: 10, replica: 7 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -25.838826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.838826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.838826 (E_RNA) where: Base-Base interactions energy: -7.627 where: short stacking energy: -7.627 Base-Backbone interact. energy: -0.000 local terms energy: -18.211893 where: bonds (distance) C4'-P energy: -3.861 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.372 flat angles P-C4'-P energy: -1.952 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: 1, replica: 1 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -24.288758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.288758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.288758 (E_RNA) where: Base-Base interactions energy: -8.493 where: short stacking energy: -8.493 Base-Backbone interact. energy: -0.004 local terms energy: -15.791811 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -3.919 flat angles C4'-P-C4' energy: -3.145 flat angles P-C4'-P energy: -3.420 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: 2, replica: 2 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -27.907028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.907028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.907028 (E_RNA) where: Base-Base interactions energy: -7.652 where: short stacking energy: -7.652 Base-Backbone interact. energy: -0.000 local terms energy: -20.255067 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.781 flat angles P-C4'-P energy: -2.324 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: 3, replica: 5 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -26.754956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.754956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.754956 (E_RNA) where: Base-Base interactions energy: -8.023 where: short stacking energy: -8.023 Base-Backbone interact. energy: -0.000 local terms energy: -18.731696 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.585 flat angles P-C4'-P energy: -3.663 tors. eta vs tors. theta energy: -2.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -27.066619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.066619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.066619 (E_RNA) where: Base-Base interactions energy: -9.099 where: short stacking energy: -9.099 Base-Backbone interact. energy: -0.000 local terms energy: -17.967610 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -3.303 flat angles P-C4'-P energy: -0.929 tors. eta vs tors. theta energy: -5.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -23.566232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.566232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.566232 (E_RNA) where: Base-Base interactions energy: -6.913 where: short stacking energy: -6.913 Base-Backbone interact. energy: -0.008 local terms energy: -16.645709 where: bonds (distance) C4'-P energy: -4.018 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.444 flat angles P-C4'-P energy: -3.120 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: 9 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -23.423437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.423437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.423437 (E_RNA) where: Base-Base interactions energy: -7.621 where: short stacking energy: -7.621 Base-Backbone interact. energy: -0.076 local terms energy: -15.725867 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -3.100 flat angles C4'-P-C4' energy: -4.750 flat angles P-C4'-P energy: -4.024 tors. eta vs tors. theta energy: 0.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -21.494988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.494988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.494988 (E_RNA) where: Base-Base interactions energy: -7.095 where: short stacking energy: -7.095 Base-Backbone interact. energy: -0.021 local terms energy: -14.378808 where: bonds (distance) C4'-P energy: -2.867 bonds (distance) P-C4' energy: -4.051 flat angles C4'-P-C4' energy: -3.493 flat angles P-C4'-P energy: -3.123 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: 8, replica: 3 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -20.900753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.900753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.900753 (E_RNA) where: Base-Base interactions energy: -4.480 where: short stacking energy: -4.480 Base-Backbone interact. energy: -0.001 local terms energy: -16.419644 where: bonds (distance) C4'-P energy: -3.789 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.047 flat angles P-C4'-P energy: -2.530 tors. eta vs tors. theta energy: -0.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -23.402143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.402143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.402143 (E_RNA) where: Base-Base interactions energy: -7.260 where: short stacking energy: -7.260 Base-Backbone interact. energy: -0.002 local terms energy: -16.140753 where: bonds (distance) C4'-P energy: -2.892 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.820 flat angles P-C4'-P energy: -4.062 tors. eta vs tors. theta energy: 0.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -17.460871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.460871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.460871 (E_RNA) where: Base-Base interactions energy: -4.164 where: short stacking energy: -4.164 Base-Backbone interact. energy: -0.000 local terms energy: -13.296898 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.483 flat angles P-C4'-P energy: 1.101 tors. eta vs tors. theta energy: -0.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -25.085364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.085364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.085364 (E_RNA) where: Base-Base interactions energy: -7.301 where: short stacking energy: -7.301 Base-Backbone interact. energy: -0.000 local terms energy: -17.783992 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.662 flat angles P-C4'-P energy: -2.149 tors. eta vs tors. theta energy: -1.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -31.939218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.939218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.939218 (E_RNA) where: Base-Base interactions energy: -10.998 where: short stacking energy: -10.998 Base-Backbone interact. energy: -0.000 local terms energy: -20.941523 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.647 flat angles P-C4'-P energy: -3.758 tors. eta vs tors. theta energy: -4.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -23.028304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.028304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.028304 (E_RNA) where: Base-Base interactions energy: -4.215 where: short stacking energy: -4.292 Base-Backbone interact. energy: -0.066 local terms energy: -18.747036 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.378 flat angles P-C4'-P energy: -3.428 tors. eta vs tors. theta energy: -2.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -26.760913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.760913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.760913 (E_RNA) where: Base-Base interactions energy: -8.286 where: short stacking energy: -8.286 Base-Backbone interact. energy: -0.000 local terms energy: -18.474839 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.680 flat angles P-C4'-P energy: -3.327 tors. eta vs tors. theta energy: -2.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -24.627710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.627710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.627710 (E_RNA) where: Base-Base interactions energy: -7.233 where: short stacking energy: -7.233 Base-Backbone interact. energy: -0.003 local terms energy: -17.391666 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -3.748 flat angles C4'-P-C4' energy: -4.702 flat angles P-C4'-P energy: -2.753 tors. eta vs tors. theta energy: -1.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -22.823640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.823640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.823640 (E_RNA) where: Base-Base interactions energy: -7.349 where: short stacking energy: -7.349 Base-Backbone interact. energy: -0.021 local terms energy: -15.454073 where: bonds (distance) C4'-P energy: -0.780 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.079 flat angles P-C4'-P energy: -2.441 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: 7, replica: 8 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -19.760636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.760636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.760636 (E_RNA) where: Base-Base interactions energy: -4.440 where: short stacking energy: -4.440 Base-Backbone interact. energy: -0.000 local terms energy: -15.320119 where: bonds (distance) C4'-P energy: -0.043 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.594 flat angles P-C4'-P energy: -3.728 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: 7 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -20.457616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.457616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.457616 (E_RNA) where: Base-Base interactions energy: -6.159 where: short stacking energy: -6.159 Base-Backbone interact. energy: -0.001 local terms energy: -14.297995 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -1.339 flat angles P-C4'-P energy: -2.256 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: 3 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -20.468710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.468710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.468710 (E_RNA) where: Base-Base interactions energy: -3.750 where: short stacking energy: -3.750 Base-Backbone interact. energy: -0.000 local terms energy: -16.719046 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.007 flat angles P-C4'-P energy: -2.780 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: 10 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -25.648674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.648674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.648674 (E_RNA) where: Base-Base interactions energy: -9.278 where: short stacking energy: -9.278 Base-Backbone interact. energy: -0.000 local terms energy: -16.370605 where: bonds (distance) C4'-P energy: -3.045 bonds (distance) P-C4' energy: -3.811 flat angles C4'-P-C4' energy: -4.488 flat angles P-C4'-P energy: -1.625 tors. eta vs tors. theta energy: -3.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -30.040462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.040462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.040462 (E_RNA) where: Base-Base interactions energy: -11.217 where: short stacking energy: -11.217 Base-Backbone interact. energy: -0.000 local terms energy: -18.823666 where: bonds (distance) C4'-P energy: -4.341 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -3.815 flat angles P-C4'-P energy: -2.476 tors. eta vs tors. theta energy: -3.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -26.868128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.868128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.868128 (E_RNA) where: Base-Base interactions energy: -6.449 where: short stacking energy: -6.449 Base-Backbone interact. energy: -0.000 local terms energy: -20.418814 where: bonds (distance) C4'-P energy: -3.430 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.309 flat angles P-C4'-P energy: -2.584 tors. eta vs tors. theta energy: -4.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -30.329034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.329034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.329034 (E_RNA) where: Base-Base interactions energy: -11.753 where: short stacking energy: -11.753 Base-Backbone interact. energy: -0.000 local terms energy: -18.576366 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -3.751 flat angles C4'-P-C4' energy: -3.919 flat angles P-C4'-P energy: -2.289 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: 4, replica: 2 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -22.535065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.535065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.535065 (E_RNA) where: Base-Base interactions energy: -10.308 where: short stacking energy: -10.308 Base-Backbone interact. energy: -0.000 local terms energy: -12.227462 where: bonds (distance) C4'-P energy: -1.128 bonds (distance) P-C4' energy: -3.643 flat angles C4'-P-C4' energy: -3.925 flat angles P-C4'-P energy: -2.468 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: 5, replica: 9 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -25.627368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.627368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.627368 (E_RNA) where: Base-Base interactions energy: -7.659 where: short stacking energy: -7.659 Base-Backbone interact. energy: -0.000 local terms energy: -17.968079 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.924 flat angles P-C4'-P energy: -0.805 tors. eta vs tors. theta energy: -3.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -22.976027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.976027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.976027 (E_RNA) where: Base-Base interactions energy: -4.598 where: short stacking energy: -4.598 Base-Backbone interact. energy: -0.001 local terms energy: -18.377186 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.470 flat angles P-C4'-P energy: -2.931 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: 7, replica: 7 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -26.135377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.135377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.135377 (E_RNA) where: Base-Base interactions energy: -7.707 where: short stacking energy: -7.707 Base-Backbone interact. energy: -0.000 local terms energy: -18.428651 where: bonds (distance) C4'-P energy: -3.897 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -3.538 flat angles P-C4'-P energy: -2.410 tors. eta vs tors. theta energy: -4.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -23.577677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.577677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.577677 (E_RNA) where: Base-Base interactions energy: -7.569 where: short stacking energy: -7.569 Base-Backbone interact. energy: -0.015 local terms energy: -15.993411 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.943 flat angles P-C4'-P energy: -1.498 tors. eta vs tors. theta energy: -1.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -22.914784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.914784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.914784 (E_RNA) where: Base-Base interactions energy: -10.531 where: short stacking energy: -10.531 Base-Backbone interact. energy: -0.000 local terms energy: -12.383809 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -1.109 flat angles C4'-P-C4' energy: -3.538 flat angles P-C4'-P energy: -1.040 tors. eta vs tors. theta energy: -2.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -20.766778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.766778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.766778 (E_RNA) where: Base-Base interactions energy: -3.709 where: short stacking energy: -3.709 Base-Backbone interact. energy: -0.022 local terms energy: -17.036050 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.149 flat angles C4'-P-C4' energy: -3.908 flat angles P-C4'-P energy: -3.567 tors. eta vs tors. theta energy: -1.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -27.915178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.915178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.915178 (E_RNA) where: Base-Base interactions energy: -11.336 where: short stacking energy: -11.336 Base-Backbone interact. energy: -0.000 local terms energy: -16.578735 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -2.504 flat angles P-C4'-P energy: -2.705 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: 2, replica: 6 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -27.235428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.235428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.235428 (E_RNA) where: Base-Base interactions energy: -12.085 where: short stacking energy: -12.085 Base-Backbone interact. energy: -0.000 local terms energy: -15.150529 where: bonds (distance) C4'-P energy: -1.997 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.485 flat angles P-C4'-P energy: -1.011 tors. eta vs tors. theta energy: -3.222 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: 1 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -25.799721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.799721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.799721 (E_RNA) where: Base-Base interactions energy: -6.611 where: short stacking energy: -6.611 Base-Backbone interact. energy: -0.046 local terms energy: -19.142071 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.426 flat angles P-C4'-P energy: -2.723 tors. eta vs tors. theta energy: -2.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -27.625578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.625578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.625578 (E_RNA) where: Base-Base interactions energy: -10.691 where: short stacking energy: -10.691 Base-Backbone interact. energy: -0.000 local terms energy: -16.934417 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -1.511 flat angles P-C4'-P energy: -3.988 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: 5, replica: 2 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -23.798079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.798079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.798079 (E_RNA) where: Base-Base interactions energy: -4.471 where: short stacking energy: -4.471 Base-Backbone interact. energy: -0.000 local terms energy: -19.326627 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.271 flat angles P-C4'-P energy: -2.619 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: 6, replica: 7 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -25.293835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.293835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.293835 (E_RNA) where: Base-Base interactions energy: -12.155 where: short stacking energy: -12.155 Base-Backbone interact. energy: -0.000 local terms energy: -13.138753 where: bonds (distance) C4'-P energy: -0.743 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -3.730 flat angles P-C4'-P energy: -1.899 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: 7, replica: 4 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -24.902970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.902970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.902970 (E_RNA) where: Base-Base interactions energy: -7.483 where: short stacking energy: -7.483 Base-Backbone interact. energy: -0.000 local terms energy: -17.420210 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -3.312 flat angles C4'-P-C4' energy: -3.962 flat angles P-C4'-P energy: -3.683 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: 8, replica: 10 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -20.258402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.258402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.258402 (E_RNA) where: Base-Base interactions energy: -6.075 where: short stacking energy: -6.075 Base-Backbone interact. energy: -0.000 local terms energy: -14.182782 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.405 flat angles P-C4'-P energy: -1.234 tors. eta vs tors. theta energy: -0.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -21.435943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.435943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.435943 (E_RNA) where: Base-Base interactions energy: -4.621 where: short stacking energy: -4.621 Base-Backbone interact. energy: -0.001 local terms energy: -16.813984 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.832 flat angles P-C4'-P energy: -3.918 tors. eta vs tors. theta energy: -0.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -20.794518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.794518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.794518 (E_RNA) where: Base-Base interactions energy: -3.386 where: short stacking energy: -3.386 Base-Backbone interact. energy: -0.008 local terms energy: -17.401133 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.364 flat angles P-C4'-P energy: -3.011 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: 1, replica: 6 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -28.123098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.123098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.123098 (E_RNA) where: Base-Base interactions energy: -11.285 where: short stacking energy: -11.285 Base-Backbone interact. energy: -0.000 local terms energy: -16.837997 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -3.134 flat angles C4'-P-C4' energy: -3.815 flat angles P-C4'-P energy: -3.721 tors. eta vs tors. theta energy: -1.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -24.703383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.703383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.703383 (E_RNA) where: Base-Base interactions energy: -5.508 where: short stacking energy: -5.508 Base-Backbone interact. energy: -0.000 local terms energy: -19.195655 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.387 flat angles P-C4'-P energy: -3.892 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: 9 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -27.510092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.510092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.510092 (E_RNA) where: Base-Base interactions energy: -6.949 where: short stacking energy: -6.949 Base-Backbone interact. energy: -0.087 local terms energy: -20.474110 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.252 flat angles P-C4'-P energy: -3.509 tors. eta vs tors. theta energy: -2.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -22.144076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.144076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.144076 (E_RNA) where: Base-Base interactions energy: -7.729 where: short stacking energy: -7.729 Base-Backbone interact. energy: -0.047 local terms energy: -14.368289 where: bonds (distance) C4'-P energy: -3.268 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -3.693 flat angles P-C4'-P energy: -3.423 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: 5, replica: 7 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -26.245169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.245169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.245169 (E_RNA) where: Base-Base interactions energy: -9.630 where: short stacking energy: -9.630 Base-Backbone interact. energy: -0.001 local terms energy: -16.613592 where: bonds (distance) C4'-P energy: -3.169 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -2.381 flat angles P-C4'-P energy: -2.769 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: 2 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -23.099493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.099493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.099493 (E_RNA) where: Base-Base interactions energy: -8.550 where: short stacking energy: -8.550 Base-Backbone interact. energy: -0.000 local terms energy: -14.549458 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -3.327 flat angles C4'-P-C4' energy: -4.577 flat angles P-C4'-P energy: -0.881 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: 10 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -22.405290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.405290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.405290 (E_RNA) where: Base-Base interactions energy: -6.909 where: short stacking energy: -6.909 Base-Backbone interact. energy: -0.000 local terms energy: -15.495758 where: bonds (distance) C4'-P energy: -2.680 bonds (distance) P-C4' energy: -3.490 flat angles C4'-P-C4' energy: -4.032 flat angles P-C4'-P energy: -3.277 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: 8, replica: 4 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -22.007276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.007276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.007276 (E_RNA) where: Base-Base interactions energy: -3.830 where: short stacking energy: -3.830 Base-Backbone interact. energy: -0.000 local terms energy: -18.177264 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.610 flat angles P-C4'-P energy: -2.216 tors. eta vs tors. theta energy: -1.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -20.699987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.699987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.699987 (E_RNA) where: Base-Base interactions energy: -2.953 where: short stacking energy: -2.953 Base-Backbone interact. energy: -0.000 local terms energy: -17.746873 where: bonds (distance) C4'-P energy: -2.316 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.861 flat angles P-C4'-P energy: -3.751 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: 10, replica: 8 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -22.494525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.494525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.494525 (E_RNA) where: Base-Base interactions energy: -4.891 where: short stacking energy: -4.891 Base-Backbone interact. energy: -0.000 local terms energy: -17.603574 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -3.828 flat angles P-C4'-P energy: -3.277 tors. eta vs tors. theta energy: -1.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -26.158239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.158239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.158239 (E_RNA) where: Base-Base interactions energy: -7.015 where: short stacking energy: -7.015 Base-Backbone interact. energy: -0.008 local terms energy: -19.135046 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -4.190 flat angles P-C4'-P energy: -3.947 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: 2, replica: 9 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -26.162267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.162267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.162267 (E_RNA) where: Base-Base interactions energy: -8.881 where: short stacking energy: -8.881 Base-Backbone interact. energy: -0.000 local terms energy: -17.281469 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -3.712 flat angles P-C4'-P energy: -1.949 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: 5 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -24.466318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.466318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.466318 (E_RNA) where: Base-Base interactions energy: -5.841 where: short stacking energy: -5.841 Base-Backbone interact. energy: -0.000 local terms energy: -18.625625 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.960 flat angles P-C4'-P energy: -2.921 tors. eta vs tors. theta energy: -1.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -25.070716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.070716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.070716 (E_RNA) where: Base-Base interactions energy: -7.409 where: short stacking energy: -7.409 Base-Backbone interact. energy: -0.027 local terms energy: -17.634750 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.728 flat angles P-C4'-P energy: -2.017 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: 5, replica: 1 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -23.366301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.366301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.366301 (E_RNA) where: Base-Base interactions energy: -7.158 where: short stacking energy: -7.158 Base-Backbone interact. energy: -0.019 local terms energy: -16.189618 where: bonds (distance) C4'-P energy: -2.573 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.555 flat angles P-C4'-P energy: -3.685 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: 10 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -29.020553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.020553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.020553 (E_RNA) where: Base-Base interactions energy: -10.302 where: short stacking energy: -10.302 Base-Backbone interact. energy: 0.408 local terms energy: -19.126214 where: bonds (distance) C4'-P energy: -2.928 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.559 flat angles P-C4'-P energy: -2.929 tors. eta vs tors. theta energy: -3.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -24.642140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.642140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.642140 (E_RNA) where: Base-Base interactions energy: -7.881 where: short stacking energy: -7.881 Base-Backbone interact. energy: -0.000 local terms energy: -16.760883 where: bonds (distance) C4'-P energy: -2.668 bonds (distance) P-C4' energy: -2.839 flat angles C4'-P-C4' energy: -4.363 flat angles P-C4'-P energy: -3.411 tors. eta vs tors. theta energy: -3.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -24.582549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.582549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.582549 (E_RNA) where: Base-Base interactions energy: -6.782 where: short stacking energy: -6.782 Base-Backbone interact. energy: -0.000 local terms energy: -17.800100 where: bonds (distance) C4'-P energy: -3.939 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -1.562 flat angles P-C4'-P energy: -3.345 tors. eta vs tors. theta energy: -4.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -28.360372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.360372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.360372 (E_RNA) where: Base-Base interactions energy: -8.328 where: short stacking energy: -8.328 Base-Backbone interact. energy: -0.000 local terms energy: -20.032110 where: bonds (distance) C4'-P energy: -3.708 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.492 flat angles P-C4'-P energy: -3.155 tors. eta vs tors. theta energy: -4.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -24.100116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.100116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.100116 (E_RNA) where: Base-Base interactions energy: -7.797 where: short stacking energy: -7.797 Base-Backbone interact. energy: -0.000 local terms energy: -16.302604 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -2.507 flat angles C4'-P-C4' energy: -4.544 flat angles P-C4'-P energy: -1.481 tors. eta vs tors. theta energy: -3.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -27.571014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.571014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.571014 (E_RNA) where: Base-Base interactions energy: -10.567 where: short stacking energy: -10.567 Base-Backbone interact. energy: -0.000 local terms energy: -17.003560 where: bonds (distance) C4'-P energy: -3.645 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.883 flat angles P-C4'-P energy: -3.120 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: 2, replica: 6 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -28.077046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.077046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.077046 (E_RNA) where: Base-Base interactions energy: -10.504 where: short stacking energy: -10.504 Base-Backbone interact. energy: -0.000 local terms energy: -17.572953 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.159 flat angles C4'-P-C4' energy: -4.173 flat angles P-C4'-P energy: -2.505 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: 3, replica: 7 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -24.933811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.933811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.933811 (E_RNA) where: Base-Base interactions energy: -6.850 where: short stacking energy: -6.850 Base-Backbone interact. energy: -0.075 local terms energy: -18.008791 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.606 flat angles C4'-P-C4' energy: -3.343 flat angles P-C4'-P energy: -3.022 tors. eta vs tors. theta energy: -2.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -24.661049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.661049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.661049 (E_RNA) where: Base-Base interactions energy: -7.424 where: short stacking energy: -7.424 Base-Backbone interact. energy: -0.021 local terms energy: -17.216653 where: bonds (distance) C4'-P energy: -3.479 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.887 flat angles P-C4'-P energy: -3.256 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: 5, replica: 10 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -26.411892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.411892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.411892 (E_RNA) where: Base-Base interactions energy: -8.312 where: short stacking energy: -8.312 Base-Backbone interact. energy: -0.001 local terms energy: -18.098927 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -3.585 flat angles C4'-P-C4' energy: -3.501 flat angles P-C4'-P energy: -4.169 tors. eta vs tors. theta energy: -2.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -22.827812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.827812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.827812 (E_RNA) where: Base-Base interactions energy: -7.139 where: short stacking energy: -7.139 Base-Backbone interact. energy: -0.197 local terms energy: -15.492244 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.031 flat angles P-C4'-P energy: -3.241 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: 7, replica: 3 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -25.052466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.052466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.052466 (E_RNA) where: Base-Base interactions energy: -7.681 where: short stacking energy: -7.681 Base-Backbone interact. energy: -0.020 local terms energy: -17.351092 where: bonds (distance) C4'-P energy: -3.393 bonds (distance) P-C4' energy: -4.413 flat angles C4'-P-C4' energy: -3.149 flat angles P-C4'-P energy: -3.235 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: 8, replica: 2 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -20.536570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.536570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.536570 (E_RNA) where: Base-Base interactions energy: -7.334 where: short stacking energy: -7.334 Base-Backbone interact. energy: -0.000 local terms energy: -13.202103 where: bonds (distance) C4'-P energy: -2.084 bonds (distance) P-C4' energy: -5.128 flat angles C4'-P-C4' energy: -3.393 flat angles P-C4'-P energy: -2.676 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: 9, replica: 8 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -23.330972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.330972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.330972 (E_RNA) where: Base-Base interactions energy: -6.685 where: short stacking energy: -7.655 Base-Backbone interact. energy: -0.001 local terms energy: -16.644655 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.345 flat angles P-C4'-P energy: -1.927 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: 10, replica: 4 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -24.068870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.068870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.068870 (E_RNA) where: Base-Base interactions energy: -7.745 where: short stacking energy: -7.745 Base-Backbone interact. energy: -0.000 local terms energy: -16.323890 where: bonds (distance) C4'-P energy: -3.397 bonds (distance) P-C4' energy: -3.790 flat angles C4'-P-C4' energy: -4.134 flat angles P-C4'-P energy: -3.257 tors. eta vs tors. theta energy: -1.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -27.904457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.904457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.904457 (E_RNA) where: Base-Base interactions energy: -7.012 where: short stacking energy: -7.012 Base-Backbone interact. energy: -0.000 local terms energy: -20.892122 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.255 flat angles P-C4'-P energy: -3.539 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: 2, replica: 7 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -30.177878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.177878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.177878 (E_RNA) where: Base-Base interactions energy: -11.436 where: short stacking energy: -11.436 Base-Backbone interact. energy: -0.000 local terms energy: -18.741603 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -3.784 flat angles P-C4'-P energy: -3.141 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: 3, replica: 6 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -26.255465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.255465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.255465 (E_RNA) where: Base-Base interactions energy: -6.714 where: short stacking energy: -6.714 Base-Backbone interact. energy: -0.000 local terms energy: -19.541564 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.779 flat angles P-C4'-P energy: -2.569 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: 4, replica: 10 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -27.186425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.186425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.186425 (E_RNA) where: Base-Base interactions energy: -10.881 where: short stacking energy: -10.881 Base-Backbone interact. energy: -0.179 local terms energy: -16.126002 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -2.970 flat angles P-C4'-P energy: -1.359 tors. eta vs tors. theta energy: -3.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -23.214003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.214003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.214003 (E_RNA) where: Base-Base interactions energy: -7.687 where: short stacking energy: -7.687 Base-Backbone interact. energy: -0.000 local terms energy: -15.527251 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -2.071 flat angles P-C4'-P energy: -3.146 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: 6, replica: 3 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -25.915138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.915138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.915138 (E_RNA) where: Base-Base interactions energy: -9.406 where: short stacking energy: -9.406 Base-Backbone interact. energy: -0.000 local terms energy: -16.509508 where: bonds (distance) C4'-P energy: -2.395 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -2.194 flat angles P-C4'-P energy: -3.721 tors. eta vs tors. theta energy: -3.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -22.005603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.005603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.005603 (E_RNA) where: Base-Base interactions energy: -4.047 where: short stacking energy: -4.047 Base-Backbone interact. energy: -0.094 local terms energy: -17.864158 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -3.321 flat angles P-C4'-P energy: -3.228 tors. eta vs tors. theta energy: -2.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -21.189926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.189926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.189926 (E_RNA) where: Base-Base interactions energy: -6.575 where: short stacking energy: -6.575 Base-Backbone interact. energy: -0.000 local terms energy: -14.615222 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -3.828 flat angles P-C4'-P energy: -1.837 tors. eta vs tors. theta energy: -0.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -20.484393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.484393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.484393 (E_RNA) where: Base-Base interactions energy: -3.109 where: short stacking energy: -3.109 Base-Backbone interact. energy: -0.005 local terms energy: -17.369794 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -4.129 flat angles P-C4'-P energy: -2.993 tors. eta vs tors. theta energy: -1.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -19.683935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.683935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.683935 (E_RNA) where: Base-Base interactions energy: -3.540 where: short stacking energy: -3.540 Base-Backbone interact. energy: -0.001 local terms energy: -16.142826 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -3.131 flat angles C4'-P-C4' energy: -3.887 flat angles P-C4'-P energy: -2.923 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: 1, replica: 7 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -27.127836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.127836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.127836 (E_RNA) where: Base-Base interactions energy: -10.167 where: short stacking energy: -10.167 Base-Backbone interact. energy: -0.000 local terms energy: -16.960759 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -2.252 flat angles P-C4'-P energy: -3.888 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: 2, replica: 9 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -24.098931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.098931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.098931 (E_RNA) where: Base-Base interactions energy: -7.551 where: short stacking energy: -7.551 Base-Backbone interact. energy: -0.009 local terms energy: -16.538979 where: bonds (distance) C4'-P energy: -1.964 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.767 flat angles P-C4'-P energy: -3.593 tors. eta vs tors. theta energy: -1.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -28.905616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.905616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.905616 (E_RNA) where: Base-Base interactions energy: -12.147 where: short stacking energy: -12.147 Base-Backbone interact. energy: -0.000 local terms energy: -16.758820 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.398 flat angles P-C4'-P energy: -2.204 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: 4, replica: 6 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -24.066620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.066620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.066620 (E_RNA) where: Base-Base interactions energy: -7.829 where: short stacking energy: -7.829 Base-Backbone interact. energy: -0.013 local terms energy: -16.224323 where: bonds (distance) C4'-P energy: -2.171 bonds (distance) P-C4' energy: -5.128 flat angles C4'-P-C4' energy: -3.371 flat angles P-C4'-P energy: -4.012 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: 3 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -25.061503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.061503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.061503 (E_RNA) where: Base-Base interactions energy: -6.717 where: short stacking energy: -6.717 Base-Backbone interact. energy: -0.000 local terms energy: -18.344801 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -3.618 flat angles P-C4'-P energy: -2.121 tors. eta vs tors. theta energy: -3.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -22.443558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.443558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.443558 (E_RNA) where: Base-Base interactions energy: -7.877 where: short stacking energy: -7.877 Base-Backbone interact. energy: 0.503 local terms energy: -15.069865 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.314 flat angles C4'-P-C4' energy: -4.150 flat angles P-C4'-P energy: -2.115 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: 7, replica: 8 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -23.508101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.508101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.508101 (E_RNA) where: Base-Base interactions energy: -5.923 where: short stacking energy: -6.499 Base-Backbone interact. energy: -0.074 local terms energy: -17.510360 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.240 flat angles P-C4'-P energy: -2.508 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: 8, replica: 1 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -21.269812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.269812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.269812 (E_RNA) where: Base-Base interactions energy: -3.578 where: short stacking energy: -3.578 Base-Backbone interact. energy: -0.017 local terms energy: -17.674256 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.205 flat angles P-C4'-P energy: -2.155 tors. eta vs tors. theta energy: -2.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -19.415067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.415067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.415067 (E_RNA) where: Base-Base interactions energy: -3.485 where: short stacking energy: -3.485 Base-Backbone interact. energy: -0.000 local terms energy: -15.929824 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.061 flat angles P-C4'-P energy: -3.404 tors. eta vs tors. theta energy: 0.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -22.523717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.523717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.523717 (E_RNA) where: Base-Base interactions energy: -6.299 where: short stacking energy: -6.299 Base-Backbone interact. energy: -0.000 local terms energy: -16.225141 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.671 flat angles P-C4'-P energy: -1.826 tors. eta vs tors. theta energy: -2.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -26.548094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.548094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.548094 (E_RNA) where: Base-Base interactions energy: -8.794 where: short stacking energy: -8.794 Base-Backbone interact. energy: -0.000 local terms energy: -17.753938 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -2.963 flat angles P-C4'-P energy: -3.594 tors. eta vs tors. theta energy: -2.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -31.586021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.586021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.586021 (E_RNA) where: Base-Base interactions energy: -11.393 where: short stacking energy: -11.393 Base-Backbone interact. energy: -0.000 local terms energy: -20.193477 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.713 flat angles P-C4'-P energy: -1.894 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: 3, replica: 9 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -28.797353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.797353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.797353 (E_RNA) where: Base-Base interactions energy: -10.617 where: short stacking energy: -10.617 Base-Backbone interact. energy: -0.000 local terms energy: -18.180508 where: bonds (distance) C4'-P energy: -2.588 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -3.908 flat angles P-C4'-P energy: -2.959 tors. eta vs tors. theta energy: -4.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -28.442031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.442031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.442031 (E_RNA) where: Base-Base interactions energy: -10.989 where: short stacking energy: -10.989 Base-Backbone interact. energy: -0.000 local terms energy: -17.453032 where: bonds (distance) C4'-P energy: -3.301 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.034 flat angles P-C4'-P energy: -3.483 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: 5, replica: 6 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -26.159558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.159558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.159558 (E_RNA) where: Base-Base interactions energy: -10.541 where: short stacking energy: -10.541 Base-Backbone interact. energy: -0.001 local terms energy: -15.617884 where: bonds (distance) C4'-P energy: -2.859 bonds (distance) P-C4' energy: -4.180 flat angles C4'-P-C4' energy: -3.210 flat angles P-C4'-P energy: -2.580 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: 5 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -24.077880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.077880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.077880 (E_RNA) where: Base-Base interactions energy: -10.117 where: short stacking energy: -10.117 Base-Backbone interact. energy: -0.001 local terms energy: -13.959776 where: bonds (distance) C4'-P energy: -3.169 bonds (distance) P-C4' energy: -2.211 flat angles C4'-P-C4' energy: -4.034 flat angles P-C4'-P energy: -3.135 tors. eta vs tors. theta energy: -1.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -29.898999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.898999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.898999 (E_RNA) where: Base-Base interactions energy: -11.418 where: short stacking energy: -11.418 Base-Backbone interact. energy: -0.000 local terms energy: -18.480557 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.633 flat angles P-C4'-P energy: -1.180 tors. eta vs tors. theta energy: -3.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -28.585749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.585749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.585749 (E_RNA) where: Base-Base interactions energy: -10.566 where: short stacking energy: -10.566 Base-Backbone interact. energy: -0.000 local terms energy: -18.019726 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -2.125 flat angles C4'-P-C4' energy: -3.728 flat angles P-C4'-P energy: -4.117 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: 9, replica: 1 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -21.698281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.698281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.698281 (E_RNA) where: Base-Base interactions energy: -5.018 where: short stacking energy: -5.018 Base-Backbone interact. energy: -0.019 local terms energy: -16.661555 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.857 flat angles P-C4'-P energy: -2.986 tors. eta vs tors. theta energy: -0.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -22.614365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.614365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.614365 (E_RNA) where: Base-Base interactions energy: -4.119 where: short stacking energy: -4.119 Base-Backbone interact. energy: -0.000 local terms energy: -18.495133 where: bonds (distance) C4'-P energy: -3.194 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -4.509 flat angles P-C4'-P energy: -2.446 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: 1, replica: 10 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -31.388667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.388667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.388667 (E_RNA) where: Base-Base interactions energy: -12.119 where: short stacking energy: -12.119 Base-Backbone interact. energy: -0.000 local terms energy: -19.269513 where: bonds (distance) C4'-P energy: -2.759 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.105 flat angles P-C4'-P energy: -4.055 tors. eta vs tors. theta energy: -4.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -22.842289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.842289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.842289 (E_RNA) where: Base-Base interactions energy: -6.290 where: short stacking energy: -6.290 Base-Backbone interact. energy: -0.018 local terms energy: -16.534276 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -3.592 flat angles P-C4'-P energy: -1.752 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: 3, replica: 3 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -25.536132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.536132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.536132 (E_RNA) where: Base-Base interactions energy: -7.250 where: short stacking energy: -7.250 Base-Backbone interact. energy: -0.000 local terms energy: -18.286180 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.084 flat angles P-C4'-P energy: -2.688 tors. eta vs tors. theta energy: -2.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -25.632738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.632738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.632738 (E_RNA) where: Base-Base interactions energy: -10.898 where: short stacking energy: -10.898 Base-Backbone interact. energy: -0.028 local terms energy: -14.706697 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -2.386 flat angles C4'-P-C4' energy: -3.568 flat angles P-C4'-P energy: -2.297 tors. eta vs tors. theta energy: -2.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -21.434818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.434818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.434818 (E_RNA) where: Base-Base interactions energy: -8.335 where: short stacking energy: -8.335 Base-Backbone interact. energy: -0.033 local terms energy: -13.067168 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.995 flat angles P-C4'-P energy: -2.489 tors. eta vs tors. theta energy: 1.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -19.448877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.448877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.448877 (E_RNA) where: Base-Base interactions energy: -1.715 where: short stacking energy: -1.715 Base-Backbone interact. energy: -0.084 local terms energy: -17.650505 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -3.075 flat angles P-C4'-P energy: -3.440 tors. eta vs tors. theta energy: -2.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -23.733031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.733031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.733031 (E_RNA) where: Base-Base interactions energy: -7.682 where: short stacking energy: -7.682 Base-Backbone interact. energy: -0.035 local terms energy: -16.016239 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.311 flat angles C4'-P-C4' energy: -2.318 flat angles P-C4'-P energy: -3.484 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: 8, replica: 8 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -22.913904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.913904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.913904 (E_RNA) where: Base-Base interactions energy: -7.090 where: short stacking energy: -7.090 Base-Backbone interact. energy: -0.000 local terms energy: -15.823818 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -2.999 flat angles P-C4'-P energy: -3.369 tors. eta vs tors. theta energy: -0.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -22.740135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.740135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.740135 (E_RNA) where: Base-Base interactions energy: -6.975 where: short stacking energy: -6.975 Base-Backbone interact. energy: -0.000 local terms energy: -15.764604 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -4.572 flat angles C4'-P-C4' energy: -2.973 flat angles P-C4'-P energy: -2.603 tors. eta vs tors. theta energy: -2.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -23.046611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.046611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.046611 (E_RNA) where: Base-Base interactions energy: -6.224 where: short stacking energy: -6.224 Base-Backbone interact. energy: -0.004 local terms energy: -16.817709 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.017 flat angles P-C4'-P energy: -2.935 tors. eta vs tors. theta energy: -1.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -28.002864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.002864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.002864 (E_RNA) where: Base-Base interactions energy: -8.470 where: short stacking energy: -8.470 Base-Backbone interact. energy: -0.000 local terms energy: -19.533280 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.974 flat angles P-C4'-P energy: -3.871 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: 2, replica: 3 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -20.378283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.378283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.378283 (E_RNA) where: Base-Base interactions energy: -3.805 where: short stacking energy: -3.805 Base-Backbone interact. energy: -0.012 local terms energy: -16.561390 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.614 flat angles P-C4'-P energy: -2.429 tors. eta vs tors. theta energy: 0.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -24.155773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.155773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.155773 (E_RNA) where: Base-Base interactions energy: -5.004 where: short stacking energy: -5.165 Base-Backbone interact. energy: -0.000 local terms energy: -19.151406 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.676 flat angles P-C4'-P energy: -3.376 tors. eta vs tors. theta energy: -1.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -31.091593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.091593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.091593 (E_RNA) where: Base-Base interactions energy: -10.780 where: short stacking energy: -10.780 Base-Backbone interact. energy: -0.000 local terms energy: -20.311610 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.885 flat angles P-C4'-P energy: -3.086 tors. eta vs tors. theta energy: -5.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -23.582256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.582256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.582256 (E_RNA) where: Base-Base interactions energy: -7.701 where: short stacking energy: -7.701 Base-Backbone interact. energy: -0.006 local terms energy: -15.875075 where: bonds (distance) C4'-P energy: -2.159 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.507 flat angles P-C4'-P energy: -3.423 tors. eta vs tors. theta energy: -2.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -24.935896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.935896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.935896 (E_RNA) where: Base-Base interactions energy: -7.296 where: short stacking energy: -7.296 Base-Backbone interact. energy: -0.001 local terms energy: -17.639176 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -2.179 flat angles P-C4'-P energy: -2.875 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: 7, replica: 6 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -22.713555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.713555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.713555 (E_RNA) where: Base-Base interactions energy: -7.548 where: short stacking energy: -7.548 Base-Backbone interact. energy: -0.000 local terms energy: -15.165293 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -4.342 flat angles C4'-P-C4' energy: -4.721 flat angles P-C4'-P energy: -2.819 tors. eta vs tors. theta energy: 0.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -22.925107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.925107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.925107 (E_RNA) where: Base-Base interactions energy: -4.386 where: short stacking energy: -4.386 Base-Backbone interact. energy: -0.057 local terms energy: -18.481995 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.515 flat angles P-C4'-P energy: -2.319 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: 9, replica: 8 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -23.537730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.537730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.537730 (E_RNA) where: Base-Base interactions energy: -11.609 where: short stacking energy: -11.609 Base-Backbone interact. energy: -0.000 local terms energy: -11.928363 where: bonds (distance) C4'-P energy: -0.189 bonds (distance) P-C4' energy: -2.744 flat angles C4'-P-C4' energy: -2.864 flat angles P-C4'-P energy: -2.961 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: 10, replica: 1 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -19.890757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.890757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.890757 (E_RNA) where: Base-Base interactions energy: -4.140 where: short stacking energy: -4.140 Base-Backbone interact. energy: -0.001 local terms energy: -15.750238 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -3.345 flat angles C4'-P-C4' energy: -3.268 flat angles P-C4'-P energy: -2.970 tors. eta vs tors. theta energy: -1.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -29.615322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.615322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.615322 (E_RNA) where: Base-Base interactions energy: -9.609 where: short stacking energy: -9.609 Base-Backbone interact. energy: -0.000 local terms energy: -20.006678 where: bonds (distance) C4'-P energy: -3.158 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.379 flat angles P-C4'-P energy: -3.750 tors. eta vs tors. theta energy: -3.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -27.375691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.375691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.375691 (E_RNA) where: Base-Base interactions energy: -6.801 where: short stacking energy: -6.801 Base-Backbone interact. energy: -0.000 local terms energy: -20.575167 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.441 flat angles C4'-P-C4' energy: -4.066 flat angles P-C4'-P energy: -2.712 tors. eta vs tors. theta energy: -5.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -25.749836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.749836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.749836 (E_RNA) where: Base-Base interactions energy: -9.244 where: short stacking energy: -9.244 Base-Backbone interact. energy: -0.017 local terms energy: -16.488740 where: bonds (distance) C4'-P energy: -2.892 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -3.679 flat angles P-C4'-P energy: -3.077 tors. eta vs tors. theta energy: -2.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -29.659905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.659905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.659905 (E_RNA) where: Base-Base interactions energy: -11.128 where: short stacking energy: -11.128 Base-Backbone interact. energy: -0.000 local terms energy: -18.531889 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.059 flat angles P-C4'-P energy: -3.626 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: 5, replica: 4 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -22.822356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.822356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.822356 (E_RNA) where: Base-Base interactions energy: -4.007 where: short stacking energy: -4.338 Base-Backbone interact. energy: -0.001 local terms energy: -18.814687 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -2.997 flat angles P-C4'-P energy: -3.340 tors. eta vs tors. theta energy: -3.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -26.439233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.439233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.439233 (E_RNA) where: Base-Base interactions energy: -9.504 where: short stacking energy: -9.504 Base-Backbone interact. energy: -0.003 local terms energy: -16.932795 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -1.407 flat angles P-C4'-P energy: -3.419 tors. eta vs tors. theta energy: -2.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -24.886252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.886252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.886252 (E_RNA) where: Base-Base interactions energy: -8.666 where: short stacking energy: -8.666 Base-Backbone interact. energy: -0.000 local terms energy: -16.219726 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -3.360 flat angles C4'-P-C4' energy: -4.257 flat angles P-C4'-P energy: -2.953 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: 8, replica: 6 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -22.756368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.756368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.756368 (E_RNA) where: Base-Base interactions energy: -6.745 where: short stacking energy: -6.745 Base-Backbone interact. energy: -0.000 local terms energy: -16.010819 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.111 flat angles P-C4'-P energy: -1.956 tors. eta vs tors. theta energy: -1.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -24.964665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.964665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.964665 (E_RNA) where: Base-Base interactions energy: -8.180 where: short stacking energy: -8.180 Base-Backbone interact. energy: -0.000 local terms energy: -16.784806 where: bonds (distance) C4'-P energy: -3.458 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.968 flat angles P-C4'-P energy: -2.966 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: 10, replica: 1 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -26.268322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.268322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.268322 (E_RNA) where: Base-Base interactions energy: -10.626 where: short stacking energy: -10.626 Base-Backbone interact. energy: -0.000 local terms energy: -15.641817 where: bonds (distance) C4'-P energy: -1.368 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.856 flat angles P-C4'-P energy: -3.653 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: 1, replica: 3 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -30.729174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.729174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.729174 (E_RNA) where: Base-Base interactions energy: -11.201 where: short stacking energy: -11.201 Base-Backbone interact. energy: -0.000 local terms energy: -19.527594 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -3.845 flat angles C4'-P-C4' energy: -3.827 flat angles P-C4'-P energy: -3.870 tors. eta vs tors. theta energy: -4.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -30.304287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.304287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.304287 (E_RNA) where: Base-Base interactions energy: -11.393 where: short stacking energy: -11.393 Base-Backbone interact. energy: -0.000 local terms energy: -18.911679 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -3.941 flat angles C4'-P-C4' energy: -4.662 flat angles P-C4'-P energy: -2.745 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: 3, replica: 10 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -26.208565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.208565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.208565 (E_RNA) where: Base-Base interactions energy: -9.756 where: short stacking energy: -9.756 Base-Backbone interact. energy: -0.000 local terms energy: -16.452780 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.579 flat angles P-C4'-P energy: -3.007 tors. eta vs tors. theta energy: -0.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -26.228971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.228971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.228971 (E_RNA) where: Base-Base interactions energy: -7.805 where: short stacking energy: -7.805 Base-Backbone interact. energy: -0.000 local terms energy: -18.424150 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.314 flat angles P-C4'-P energy: -1.891 tors. eta vs tors. theta energy: -2.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -23.485398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.485398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.485398 (E_RNA) where: Base-Base interactions energy: -7.285 where: short stacking energy: -7.285 Base-Backbone interact. energy: -0.058 local terms energy: -16.143051 where: bonds (distance) C4'-P energy: -2.138 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.595 flat angles P-C4'-P energy: -3.901 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: 6, replica: 2 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -26.461429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.461429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.461429 (E_RNA) where: Base-Base interactions energy: -10.520 where: short stacking energy: -10.520 Base-Backbone interact. energy: -0.001 local terms energy: -15.940355 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -2.849 flat angles P-C4'-P energy: -2.367 tors. eta vs tors. theta energy: -1.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -19.834812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.834812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.834812 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.009 local terms energy: -19.825719 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.650 flat angles P-C4'-P energy: -3.434 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: 8, replica: 8 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -25.007416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.007416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.007416 (E_RNA) where: Base-Base interactions energy: -6.953 where: short stacking energy: -6.953 Base-Backbone interact. energy: -0.000 local terms energy: -18.054522 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.839 flat angles C4'-P-C4' energy: -3.229 flat angles P-C4'-P energy: -1.607 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: 159 Temperature: 1.300000 Total energy: -21.457540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.457540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.457540 (E_RNA) where: Base-Base interactions energy: -6.819 where: short stacking energy: -6.819 Base-Backbone interact. energy: -0.001 local terms energy: -14.637897 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -3.966 flat angles C4'-P-C4' energy: -4.713 flat angles P-C4'-P energy: -1.230 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: 1 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -22.510340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.510340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.510340 (E_RNA) where: Base-Base interactions energy: -6.401 where: short stacking energy: -6.401 Base-Backbone interact. energy: -0.000 local terms energy: -16.109705 where: bonds (distance) C4'-P energy: -2.838 bonds (distance) P-C4' energy: -3.367 flat angles C4'-P-C4' energy: -4.606 flat angles P-C4'-P energy: -3.234 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: 1, replica: 7 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -27.620738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.620738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.620738 (E_RNA) where: Base-Base interactions energy: -10.082 where: short stacking energy: -10.082 Base-Backbone interact. energy: -0.000 local terms energy: -17.537893 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -4.342 flat angles C4'-P-C4' energy: -4.643 flat angles P-C4'-P energy: -3.223 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: 2, replica: 3 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -28.049162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.049162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.049162 (E_RNA) where: Base-Base interactions energy: -11.163 where: short stacking energy: -11.163 Base-Backbone interact. energy: -0.013 local terms energy: -16.872685 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.373 flat angles C4'-P-C4' energy: -4.801 flat angles P-C4'-P energy: -2.174 tors. eta vs tors. theta energy: -1.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -27.359327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.359327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.359327 (E_RNA) where: Base-Base interactions energy: -7.154 where: short stacking energy: -7.154 Base-Backbone interact. energy: -0.001 local terms energy: -20.204424 where: bonds (distance) C4'-P energy: -4.858 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.084 flat angles P-C4'-P energy: -2.766 tors. eta vs tors. theta energy: -3.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -26.793990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.793990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.793990 (E_RNA) where: Base-Base interactions energy: -7.518 where: short stacking energy: -7.518 Base-Backbone interact. energy: -0.000 local terms energy: -19.275827 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.314 flat angles C4'-P-C4' energy: -4.256 flat angles P-C4'-P energy: -3.102 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: 5, replica: 2 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -25.457676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.457676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.457676 (E_RNA) where: Base-Base interactions energy: -7.852 where: short stacking energy: -7.852 Base-Backbone interact. energy: -0.000 local terms energy: -17.605424 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -3.984 flat angles C4'-P-C4' energy: -3.608 flat angles P-C4'-P energy: -2.653 tors. eta vs tors. theta energy: -2.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -21.820476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.820476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.820476 (E_RNA) where: Base-Base interactions energy: -7.744 where: short stacking energy: -7.744 Base-Backbone interact. energy: -0.000 local terms energy: -14.076844 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -3.553 flat angles C4'-P-C4' energy: -3.193 flat angles P-C4'-P energy: -0.559 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: 7, replica: 8 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -23.068882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.068882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.068882 (E_RNA) where: Base-Base interactions energy: -7.059 where: short stacking energy: -7.059 Base-Backbone interact. energy: -0.001 local terms energy: -16.008774 where: bonds (distance) C4'-P energy: -3.194 bonds (distance) P-C4' energy: -3.818 flat angles C4'-P-C4' energy: -4.500 flat angles P-C4'-P energy: -2.792 tors. eta vs tors. theta energy: -1.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -23.298175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.298175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.298175 (E_RNA) where: Base-Base interactions energy: -4.744 where: short stacking energy: -4.744 Base-Backbone interact. energy: -0.000 local terms energy: -18.554223 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -4.467 flat angles P-C4'-P energy: -3.605 tors. eta vs tors. theta energy: -1.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -20.477795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.477795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.477795 (E_RNA) where: Base-Base interactions energy: -3.323 where: short stacking energy: -3.323 Base-Backbone interact. energy: -0.000 local terms energy: -17.154865 where: bonds (distance) C4'-P energy: -3.479 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.552 flat angles P-C4'-P energy: -3.539 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: 10, replica: 6 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -19.116616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.116616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.116616 (E_RNA) where: Base-Base interactions energy: -4.080 where: short stacking energy: -4.080 Base-Backbone interact. energy: 0.270 local terms energy: -15.306735 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -4.044 flat angles C4'-P-C4' energy: -4.044 flat angles P-C4'-P energy: -3.419 tors. eta vs tors. theta energy: -0.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -26.718129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.718129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.718129 (E_RNA) where: Base-Base interactions energy: -9.658 where: short stacking energy: -9.658 Base-Backbone interact. energy: -0.000 local terms energy: -17.059842 where: bonds (distance) C4'-P energy: -3.301 bonds (distance) P-C4' energy: -4.867 flat angles C4'-P-C4' energy: -4.349 flat angles P-C4'-P energy: -2.018 tors. eta vs tors. theta energy: -2.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -30.140701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.140701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.140701 (E_RNA) where: Base-Base interactions energy: -11.690 where: short stacking energy: -11.690 Base-Backbone interact. energy: -0.000 local terms energy: -18.450536 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -3.078 flat angles C4'-P-C4' energy: -4.272 flat angles P-C4'-P energy: -2.988 tors. eta vs tors. theta energy: -3.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -28.373167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.373167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.373167 (E_RNA) where: Base-Base interactions energy: -11.400 where: short stacking energy: -11.400 Base-Backbone interact. energy: -0.001 local terms energy: -16.973037 where: bonds (distance) C4'-P energy: -3.389 bonds (distance) P-C4' energy: -3.103 flat angles C4'-P-C4' energy: -4.799 flat angles P-C4'-P energy: -3.575 tors. eta vs tors. theta energy: -2.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -24.167451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.167451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.167451 (E_RNA) where: Base-Base interactions energy: -6.098 where: short stacking energy: -6.098 Base-Backbone interact. energy: -0.002 local terms energy: -18.068205 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.167 flat angles P-C4'-P energy: -3.325 tors. eta vs tors. theta energy: -2.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -24.211500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.211500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.211500 (E_RNA) where: Base-Base interactions energy: -4.502 where: short stacking energy: -4.502 Base-Backbone interact. energy: -0.000 local terms energy: -19.709134 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -4.310 flat angles P-C4'-P energy: -3.645 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: 8 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -23.054266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.054266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.054266 (E_RNA) where: Base-Base interactions energy: -4.314 where: short stacking energy: -4.314 Base-Backbone interact. energy: -0.005 local terms energy: -18.735209 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.663 flat angles P-C4'-P energy: -2.254 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: 7, replica: 5 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -22.719318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.719318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.719318 (E_RNA) where: Base-Base interactions energy: -5.704 where: short stacking energy: -5.704 Base-Backbone interact. energy: -0.011 local terms energy: -17.004980 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -4.114 flat angles P-C4'-P energy: -1.013 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: 8, replica: 1 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -22.784798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.784798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.784798 (E_RNA) where: Base-Base interactions energy: -6.043 where: short stacking energy: -6.043 Base-Backbone interact. energy: -0.082 local terms energy: -16.660033 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -3.100 flat angles C4'-P-C4' energy: -3.158 flat angles P-C4'-P energy: -3.607 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: 9, replica: 9 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -21.291089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.291089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.291089 (E_RNA) where: Base-Base interactions energy: -6.727 where: short stacking energy: -6.727 Base-Backbone interact. energy: -0.004 local terms energy: -14.560500 where: bonds (distance) C4'-P energy: -1.198 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.845 flat angles P-C4'-P energy: -1.801 tors. eta vs tors. theta energy: -2.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -20.945602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.945602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.945602 (E_RNA) where: Base-Base interactions energy: -6.640 where: short stacking energy: -6.640 Base-Backbone interact. energy: -0.020 local terms energy: -14.285652 where: bonds (distance) C4'-P energy: -3.161 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.749 flat angles P-C4'-P energy: -2.858 tors. eta vs tors. theta energy: 0.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -31.439328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.439328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.439328 (E_RNA) where: Base-Base interactions energy: -11.949 where: short stacking energy: -11.949 Base-Backbone interact. energy: -0.000 local terms energy: -19.489837 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.379 flat angles P-C4'-P energy: -2.275 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: 2, replica: 7 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -30.776652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.776652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.776652 (E_RNA) where: Base-Base interactions energy: -11.249 where: short stacking energy: -11.249 Base-Backbone interact. energy: -0.000 local terms energy: -19.527451 where: bonds (distance) C4'-P energy: -2.681 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.120 flat angles P-C4'-P energy: -3.605 tors. eta vs tors. theta energy: -4.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -28.886261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.886261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.886261 (E_RNA) where: Base-Base interactions energy: -8.411 where: short stacking energy: -8.411 Base-Backbone interact. energy: -0.000 local terms energy: -20.475447 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.659 flat angles P-C4'-P energy: -2.653 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: 4, replica: 2 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -23.066674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.066674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.066674 (E_RNA) where: Base-Base interactions energy: -6.378 where: short stacking energy: -6.378 Base-Backbone interact. energy: -0.016 local terms energy: -16.672368 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -3.846 flat angles P-C4'-P energy: -2.773 tors. eta vs tors. theta energy: -1.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -23.520550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.520550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.520550 (E_RNA) where: Base-Base interactions energy: -7.932 where: short stacking energy: -7.932 Base-Backbone interact. energy: -0.002 local terms energy: -15.586594 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -2.441 flat angles P-C4'-P energy: -3.256 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: 6, replica: 10 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -23.753184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.753184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.753184 (E_RNA) where: Base-Base interactions energy: -7.707 where: short stacking energy: -7.707 Base-Backbone interact. energy: -0.000 local terms energy: -16.045852 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.894 flat angles P-C4'-P energy: -3.258 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: 7, replica: 1 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -26.479616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.479616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.479616 (E_RNA) where: Base-Base interactions energy: -10.033 where: short stacking energy: -10.033 Base-Backbone interact. energy: -0.001 local terms energy: -16.445842 where: bonds (distance) C4'-P energy: -3.152 bonds (distance) P-C4' energy: -3.420 flat angles C4'-P-C4' energy: -3.675 flat angles P-C4'-P energy: -3.965 tors. eta vs tors. theta energy: -2.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -28.383889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.383889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.383889 (E_RNA) where: Base-Base interactions energy: -10.907 where: short stacking energy: -10.907 Base-Backbone interact. energy: -0.000 local terms energy: -17.476955 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -3.603 flat angles P-C4'-P energy: -2.673 tors. eta vs tors. theta energy: -2.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -18.576407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.576407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.576407 (E_RNA) where: Base-Base interactions energy: -4.078 where: short stacking energy: -4.117 Base-Backbone interact. energy: -0.001 local terms energy: -14.497763 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -2.963 flat angles C4'-P-C4' energy: -3.607 flat angles P-C4'-P energy: -3.112 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: 10, replica: 9 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -24.496666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.496666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.496666 (E_RNA) where: Base-Base interactions energy: -7.420 where: short stacking energy: -7.420 Base-Backbone interact. energy: -0.000 local terms energy: -17.076334 where: bonds (distance) C4'-P energy: -3.053 bonds (distance) P-C4' energy: -2.615 flat angles C4'-P-C4' energy: -4.350 flat angles P-C4'-P energy: -3.009 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: 1, replica: 4 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -28.847529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.847529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.847529 (E_RNA) where: Base-Base interactions energy: -10.115 where: short stacking energy: -10.115 Base-Backbone interact. energy: -0.100 local terms energy: -18.632902 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.437 flat angles P-C4'-P energy: -3.314 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: 2, replica: 3 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -26.186377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.186377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.186377 (E_RNA) where: Base-Base interactions energy: -8.058 where: short stacking energy: -8.058 Base-Backbone interact. energy: -0.000 local terms energy: -18.128312 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.525 flat angles P-C4'-P energy: -2.554 tors. eta vs tors. theta energy: -1.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -25.311257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.311257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.311257 (E_RNA) where: Base-Base interactions energy: -7.213 where: short stacking energy: -7.213 Base-Backbone interact. energy: -0.008 local terms energy: -18.089473 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -3.892 flat angles C4'-P-C4' energy: -2.540 flat angles P-C4'-P energy: -3.984 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: 4, replica: 8 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -28.368311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.368311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.368311 (E_RNA) where: Base-Base interactions energy: -11.335 where: short stacking energy: -11.335 Base-Backbone interact. energy: -0.025 local terms energy: -17.007483 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -4.417 flat angles C4'-P-C4' energy: -4.060 flat angles P-C4'-P energy: -2.893 tors. eta vs tors. theta energy: -2.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -22.170190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.170190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.170190 (E_RNA) where: Base-Base interactions energy: -6.337 where: short stacking energy: -6.337 Base-Backbone interact. energy: -0.000 local terms energy: -15.832685 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -4.382 flat angles P-C4'-P energy: -2.118 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: 6, replica: 1 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -25.090301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.090301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.090301 (E_RNA) where: Base-Base interactions energy: -8.133 where: short stacking energy: -8.133 Base-Backbone interact. energy: -0.000 local terms energy: -16.957552 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -2.487 flat angles P-C4'-P energy: -4.006 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: 10 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -21.423112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.423112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.423112 (E_RNA) where: Base-Base interactions energy: -5.439 where: short stacking energy: -5.439 Base-Backbone interact. energy: -0.011 local terms energy: -15.973018 where: bonds (distance) C4'-P energy: -3.645 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.746 flat angles P-C4'-P energy: -3.256 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: 8, replica: 6 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -20.982785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.982785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.982785 (E_RNA) where: Base-Base interactions energy: -3.823 where: short stacking energy: -3.823 Base-Backbone interact. energy: -0.000 local terms energy: -17.159403 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -2.944 flat angles P-C4'-P energy: -2.830 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: 5 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -21.103653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.103653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.103653 (E_RNA) where: Base-Base interactions energy: -3.074 where: short stacking energy: -3.074 Base-Backbone interact. energy: -0.000 local terms energy: -18.029941 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.540 flat angles P-C4'-P energy: -2.776 tors. eta vs tors. theta energy: -1.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -25.011494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.011494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.011494 (E_RNA) where: Base-Base interactions energy: -4.335 where: short stacking energy: -4.335 Base-Backbone interact. energy: -0.000 local terms energy: -20.676830 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -3.793 flat angles C4'-P-C4' energy: -4.255 flat angles P-C4'-P energy: -3.430 tors. eta vs tors. theta energy: -4.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -28.190411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.190411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.190411 (E_RNA) where: Base-Base interactions energy: -8.542 where: short stacking energy: -8.542 Base-Backbone interact. energy: -0.032 local terms energy: -19.616006 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.191 flat angles P-C4'-P energy: -3.296 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: 2, replica: 4 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -26.189268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.189268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.189268 (E_RNA) where: Base-Base interactions energy: -7.682 where: short stacking energy: -7.682 Base-Backbone interact. energy: -0.000 local terms energy: -18.507607 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -4.044 flat angles C4'-P-C4' energy: -3.903 flat angles P-C4'-P energy: -2.570 tors. eta vs tors. theta energy: -4.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -24.390073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.390073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.390073 (E_RNA) where: Base-Base interactions energy: -8.892 where: short stacking energy: -8.892 Base-Backbone interact. energy: -0.000 local terms energy: -15.497556 where: bonds (distance) C4'-P energy: -3.152 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -3.817 flat angles P-C4'-P energy: -2.555 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: 4, replica: 7 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -28.663823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.663823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.663823 (E_RNA) where: Base-Base interactions energy: -10.428 where: short stacking energy: -10.428 Base-Backbone interact. energy: -0.000 local terms energy: -18.235463 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -4.592 flat angles P-C4'-P energy: -2.824 tors. eta vs tors. theta energy: -3.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -23.804266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.804266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.804266 (E_RNA) where: Base-Base interactions energy: -8.060 where: short stacking energy: -8.060 Base-Backbone interact. energy: -0.000 local terms energy: -15.744435 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.471 flat angles P-C4'-P energy: -1.475 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: 6, replica: 2 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -25.425660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.425660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.425660 (E_RNA) where: Base-Base interactions energy: -8.072 where: short stacking energy: -8.072 Base-Backbone interact. energy: -0.000 local terms energy: -17.353837 where: bonds (distance) C4'-P energy: -3.185 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -2.986 flat angles P-C4'-P energy: -2.839 tors. eta vs tors. theta energy: -2.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -21.614489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.614489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.614489 (E_RNA) where: Base-Base interactions energy: -4.930 where: short stacking energy: -4.930 Base-Backbone interact. energy: -0.023 local terms energy: -16.661555 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -4.040 flat angles P-C4'-P energy: -3.795 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: 10 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -21.552645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.552645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.552645 (E_RNA) where: Base-Base interactions energy: -4.345 where: short stacking energy: -4.345 Base-Backbone interact. energy: -0.001 local terms energy: -17.207405 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -3.037 flat angles P-C4'-P energy: -4.091 tors. eta vs tors. theta energy: -1.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -22.551540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.551540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.551540 (E_RNA) where: Base-Base interactions energy: -6.100 where: short stacking energy: -6.100 Base-Backbone interact. energy: -0.000 local terms energy: -16.451479 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.533 flat angles P-C4'-P energy: -3.910 tors. eta vs tors. theta energy: -0.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -22.025493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.025493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.025493 (E_RNA) where: Base-Base interactions energy: -5.223 where: short stacking energy: -5.223 Base-Backbone interact. energy: -0.000 local terms energy: -16.802409 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -3.596 flat angles P-C4'-P energy: -3.523 tors. eta vs tors. theta energy: -1.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -26.068537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.068537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.068537 (E_RNA) where: Base-Base interactions energy: -7.773 where: short stacking energy: -7.773 Base-Backbone interact. energy: -0.000 local terms energy: -18.295491 where: bonds (distance) C4'-P energy: -2.287 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.573 flat angles P-C4'-P energy: -3.533 tors. eta vs tors. theta energy: -2.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -27.579616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.579616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.579616 (E_RNA) where: Base-Base interactions energy: -7.721 where: short stacking energy: -7.721 Base-Backbone interact. energy: -0.059 local terms energy: -19.799281 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.440 flat angles P-C4'-P energy: -3.375 tors. eta vs tors. theta energy: -2.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -24.660321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.660321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.660321 (E_RNA) where: Base-Base interactions energy: -8.469 where: short stacking energy: -8.773 Base-Backbone interact. energy: -0.078 local terms energy: -16.113643 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -3.656 flat angles P-C4'-P energy: -2.187 tors. eta vs tors. theta energy: -1.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -22.808426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.808426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.808426 (E_RNA) where: Base-Base interactions energy: -5.564 where: short stacking energy: -5.579 Base-Backbone interact. energy: -0.001 local terms energy: -17.243771 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -3.862 flat angles P-C4'-P energy: -3.483 tors. eta vs tors. theta energy: -1.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -27.878209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.878209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.878209 (E_RNA) where: Base-Base interactions energy: -8.159 where: short stacking energy: -8.159 Base-Backbone interact. energy: -0.000 local terms energy: -19.718756 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.692 flat angles P-C4'-P energy: -3.191 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: 6, replica: 6 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -24.415406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.415406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.415406 (E_RNA) where: Base-Base interactions energy: -6.931 where: short stacking energy: -6.931 Base-Backbone interact. energy: -0.002 local terms energy: -17.481990 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.411 flat angles P-C4'-P energy: -3.851 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: 2 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -23.816917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.816917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.816917 (E_RNA) where: Base-Base interactions energy: -7.466 where: short stacking energy: -7.466 Base-Backbone interact. energy: -0.000 local terms energy: -16.351109 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.571 flat angles P-C4'-P energy: -2.591 tors. eta vs tors. theta energy: -0.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -22.564458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.564458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.564458 (E_RNA) where: Base-Base interactions energy: -9.332 where: short stacking energy: -9.332 Base-Backbone interact. energy: -0.003 local terms energy: -13.229970 where: bonds (distance) C4'-P energy: -2.804 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -3.859 flat angles P-C4'-P energy: -0.379 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: 9, replica: 10 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -20.755576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.755576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.755576 (E_RNA) where: Base-Base interactions energy: -4.925 where: short stacking energy: -4.925 Base-Backbone interact. energy: -0.000 local terms energy: -15.830090 where: bonds (distance) C4'-P energy: -3.421 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.591 flat angles P-C4'-P energy: -3.169 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: 10, replica: 5 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -24.023788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.023788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.023788 (E_RNA) where: Base-Base interactions energy: -10.231 where: short stacking energy: -10.231 Base-Backbone interact. energy: -0.054 local terms energy: -13.738110 where: bonds (distance) C4'-P energy: -3.566 bonds (distance) P-C4' energy: -3.131 flat angles C4'-P-C4' energy: -3.849 flat angles P-C4'-P energy: -2.291 tors. eta vs tors. theta energy: -0.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -26.951586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.951586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.951586 (E_RNA) where: Base-Base interactions energy: -7.776 where: short stacking energy: -7.776 Base-Backbone interact. energy: -0.000 local terms energy: -19.175448 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -4.471 flat angles P-C4'-P energy: -3.567 tors. eta vs tors. theta energy: -2.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -27.393281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.393281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.393281 (E_RNA) where: Base-Base interactions energy: -9.863 where: short stacking energy: -9.863 Base-Backbone interact. energy: -0.000 local terms energy: -17.530307 where: bonds (distance) C4'-P energy: -3.575 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -1.730 flat angles P-C4'-P energy: -3.569 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: 3, replica: 1 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -27.216904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.216904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.216904 (E_RNA) where: Base-Base interactions energy: -8.102 where: short stacking energy: -8.102 Base-Backbone interact. energy: -0.013 local terms energy: -19.101720 where: bonds (distance) C4'-P energy: -3.194 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.820 flat angles P-C4'-P energy: -3.223 tors. eta vs tors. theta energy: -2.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -24.198767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.198767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.198767 (E_RNA) where: Base-Base interactions energy: -8.374 where: short stacking energy: -8.374 Base-Backbone interact. energy: -0.000 local terms energy: -15.824998 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.275 flat angles P-C4'-P energy: -1.013 tors. eta vs tors. theta energy: -1.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -26.681693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.681693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.681693 (E_RNA) where: Base-Base interactions energy: -11.160 where: short stacking energy: -11.160 Base-Backbone interact. energy: -0.107 local terms energy: -15.415052 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -3.275 flat angles P-C4'-P energy: -1.964 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: 6, replica: 7 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -24.588382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.588382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.588382 (E_RNA) where: Base-Base interactions energy: -7.124 where: short stacking energy: -7.124 Base-Backbone interact. energy: -0.013 local terms energy: -17.450863 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.606 flat angles P-C4'-P energy: -2.526 tors. eta vs tors. theta energy: -1.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -25.957604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.957604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.957604 (E_RNA) where: Base-Base interactions energy: -6.872 where: short stacking energy: -6.872 Base-Backbone interact. energy: -0.000 local terms energy: -19.085965 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.726 flat angles P-C4'-P energy: -3.528 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: 8, replica: 2 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -20.555671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.555671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.555671 (E_RNA) where: Base-Base interactions energy: -2.979 where: short stacking energy: -2.979 Base-Backbone interact. energy: -0.000 local terms energy: -17.576568 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.165 flat angles P-C4'-P energy: -3.796 tors. eta vs tors. theta energy: -1.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -23.922748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.922748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.922748 (E_RNA) where: Base-Base interactions energy: -3.863 where: short stacking energy: -3.863 Base-Backbone interact. energy: -0.000 local terms energy: -20.060084 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.575 flat angles C4'-P-C4' energy: -3.956 flat angles P-C4'-P energy: -2.669 tors. eta vs tors. theta energy: -4.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -22.987068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.987068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.987068 (E_RNA) where: Base-Base interactions energy: -7.587 where: short stacking energy: -7.587 Base-Backbone interact. energy: -0.000 local terms energy: -15.400185 where: bonds (distance) C4'-P energy: -3.268 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -2.320 flat angles P-C4'-P energy: -2.162 tors. eta vs tors. theta energy: -3.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -26.703540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.703540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.703540 (E_RNA) where: Base-Base interactions energy: -9.926 where: short stacking energy: -9.926 Base-Backbone interact. energy: -0.000 local terms energy: -16.777372 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -4.015 flat angles P-C4'-P energy: -1.713 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: 2, replica: 1 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -27.909850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.909850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.909850 (E_RNA) where: Base-Base interactions energy: -11.018 where: short stacking energy: -11.018 Base-Backbone interact. energy: -0.094 local terms energy: -16.797464 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.609 flat angles P-C4'-P energy: -1.721 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: 3, replica: 8 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -24.271345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.271345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.271345 (E_RNA) where: Base-Base interactions energy: -7.691 where: short stacking energy: -7.691 Base-Backbone interact. energy: -0.074 local terms energy: -16.506643 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.664 flat angles P-C4'-P energy: -0.904 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: 4, replica: 6 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -26.553295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.553295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.553295 (E_RNA) where: Base-Base interactions energy: -7.458 where: short stacking energy: -7.458 Base-Backbone interact. energy: -0.907 local terms energy: -18.188931 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.750 flat angles P-C4'-P energy: -2.790 tors. eta vs tors. theta energy: -1.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -23.290736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.290736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.290736 (E_RNA) where: Base-Base interactions energy: -8.074 where: short stacking energy: -8.074 Base-Backbone interact. energy: -0.000 local terms energy: -15.216465 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -4.189 flat angles P-C4'-P energy: -0.297 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: 6, replica: 9 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -24.662314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.662314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.662314 (E_RNA) where: Base-Base interactions energy: -7.236 where: short stacking energy: -7.236 Base-Backbone interact. energy: -0.001 local terms energy: -17.425895 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -1.945 flat angles P-C4'-P energy: -3.284 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: 7, replica: 7 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -22.124269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.124269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.124269 (E_RNA) where: Base-Base interactions energy: -5.977 where: short stacking energy: -5.977 Base-Backbone interact. energy: -0.073 local terms energy: -16.074924 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -2.983 flat angles P-C4'-P energy: -3.636 tors. eta vs tors. theta energy: -0.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -30.023626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.023626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.023626 (E_RNA) where: Base-Base interactions energy: -10.992 where: short stacking energy: -10.992 Base-Backbone interact. energy: -0.000 local terms energy: -19.031361 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.354 flat angles P-C4'-P energy: -2.315 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: 9, replica: 2 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -20.174213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.174213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.174213 (E_RNA) where: Base-Base interactions energy: -4.490 where: short stacking energy: -4.490 Base-Backbone interact. energy: -0.000 local terms energy: -15.684473 where: bonds (distance) C4'-P energy: -3.869 bonds (distance) P-C4' energy: -3.984 flat angles C4'-P-C4' energy: -3.966 flat angles P-C4'-P energy: -3.318 tors. eta vs tors. theta energy: -0.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -21.374243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.374243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.374243 (E_RNA) where: Base-Base interactions energy: -6.762 where: short stacking energy: -6.762 Base-Backbone interact. energy: -0.076 local terms energy: -14.535561 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -2.184 flat angles P-C4'-P energy: -3.275 tors. eta vs tors. theta energy: -0.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -27.454790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.454790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.454790 (E_RNA) where: Base-Base interactions energy: -7.817 where: short stacking energy: -7.817 Base-Backbone interact. energy: -0.000 local terms energy: -19.637505 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.148 flat angles P-C4'-P energy: -3.164 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: 2, replica: 3 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -22.446531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.446531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.446531 (E_RNA) where: Base-Base interactions energy: -6.895 where: short stacking energy: -6.895 Base-Backbone interact. energy: -1.056 local terms energy: -14.496135 where: bonds (distance) C4'-P energy: -3.566 bonds (distance) P-C4' energy: -4.339 flat angles C4'-P-C4' energy: -2.024 flat angles P-C4'-P energy: -3.150 tors. eta vs tors. theta energy: -1.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -28.084207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.084207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.084207 (E_RNA) where: Base-Base interactions energy: -8.285 where: short stacking energy: -8.285 Base-Backbone interact. energy: -0.000 local terms energy: -19.798818 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -2.697 flat angles P-C4'-P energy: -3.490 tors. eta vs tors. theta energy: -4.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -21.708527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.708527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.708527 (E_RNA) where: Base-Base interactions energy: -5.527 where: short stacking energy: -5.527 Base-Backbone interact. energy: -0.059 local terms energy: -16.122862 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.463 flat angles P-C4'-P energy: -0.692 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: 5, replica: 9 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -23.737148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.737148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.737148 (E_RNA) where: Base-Base interactions energy: -7.322 where: short stacking energy: -7.322 Base-Backbone interact. energy: -0.001 local terms energy: -16.414650 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.604 flat angles P-C4'-P energy: -2.690 tors. eta vs tors. theta energy: -0.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -24.714734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.714734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.714734 (E_RNA) where: Base-Base interactions energy: -5.938 where: short stacking energy: -5.938 Base-Backbone interact. energy: -0.030 local terms energy: -18.746599 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.376 flat angles P-C4'-P energy: -3.795 tors. eta vs tors. theta energy: -2.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -24.305909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.305909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.305909 (E_RNA) where: Base-Base interactions energy: -8.025 where: short stacking energy: -8.025 Base-Backbone interact. energy: -0.000 local terms energy: -16.280085 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -2.735 flat angles P-C4'-P energy: -2.118 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: 5 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -20.925476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.925476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.925476 (E_RNA) where: Base-Base interactions energy: -3.260 where: short stacking energy: -3.260 Base-Backbone interact. energy: -0.005 local terms energy: -17.661211 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.286 flat angles P-C4'-P energy: -3.202 tors. eta vs tors. theta energy: -0.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -18.695525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.695525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.695525 (E_RNA) where: Base-Base interactions energy: -6.803 where: short stacking energy: -6.803 Base-Backbone interact. energy: -0.000 local terms energy: -11.892805 where: bonds (distance) C4'-P energy: -1.525 bonds (distance) P-C4' energy: -3.131 flat angles C4'-P-C4' energy: -4.471 flat angles P-C4'-P energy: -1.685 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: 10, replica: 2 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -19.993871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.993871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.993871 (E_RNA) where: Base-Base interactions energy: -3.708 where: short stacking energy: -3.708 Base-Backbone interact. energy: -0.028 local terms energy: -16.258355 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.519 flat angles P-C4'-P energy: -3.406 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: 1, replica: 1 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -32.110768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.110768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.110768 (E_RNA) where: Base-Base interactions energy: -12.437 where: short stacking energy: -12.437 Base-Backbone interact. energy: -0.000 local terms energy: -19.673639 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -4.481 flat angles P-C4'-P energy: -3.608 tors. eta vs tors. theta energy: -3.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -31.138483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.138483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.138483 (E_RNA) where: Base-Base interactions energy: -12.148 where: short stacking energy: -12.148 Base-Backbone interact. energy: -0.000 local terms energy: -18.990275 where: bonds (distance) C4'-P energy: -4.858 bonds (distance) P-C4' energy: -3.790 flat angles C4'-P-C4' energy: -4.521 flat angles P-C4'-P energy: -3.031 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: 3, replica: 3 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -25.832272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.832272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.832272 (E_RNA) where: Base-Base interactions energy: -7.317 where: short stacking energy: -7.317 Base-Backbone interact. energy: -0.003 local terms energy: -18.511886 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -4.060 flat angles P-C4'-P energy: -3.256 tors. eta vs tors. theta energy: -2.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -25.387441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.387441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.387441 (E_RNA) where: Base-Base interactions energy: -7.794 where: short stacking energy: -7.794 Base-Backbone interact. energy: -0.005 local terms energy: -17.589257 where: bonds (distance) C4'-P energy: -3.487 bonds (distance) P-C4' energy: -3.790 flat angles C4'-P-C4' energy: -4.129 flat angles P-C4'-P energy: -3.100 tors. eta vs tors. theta energy: -3.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -24.950957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.950957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.950957 (E_RNA) where: Base-Base interactions energy: -7.180 where: short stacking energy: -7.180 Base-Backbone interact. energy: -0.014 local terms energy: -17.757020 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.910 flat angles P-C4'-P energy: -1.964 tors. eta vs tors. theta energy: -2.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -19.663148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.663148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.663148 (E_RNA) where: Base-Base interactions energy: -3.994 where: short stacking energy: -3.994 Base-Backbone interact. energy: -0.024 local terms energy: -15.645340 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -3.585 flat angles P-C4'-P energy: -3.709 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: 7, replica: 4 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -20.680277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.680277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.680277 (E_RNA) where: Base-Base interactions energy: -6.949 where: short stacking energy: -6.949 Base-Backbone interact. energy: -0.065 local terms energy: -13.665492 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.047 flat angles P-C4'-P energy: -1.347 tors. eta vs tors. theta energy: 0.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -22.590183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.590183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.590183 (E_RNA) where: Base-Base interactions energy: -4.204 where: short stacking energy: -4.204 Base-Backbone interact. energy: -0.012 local terms energy: -18.373591 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.557 flat angles P-C4'-P energy: -2.972 tors. eta vs tors. theta energy: -1.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -20.380090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.380090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.380090 (E_RNA) where: Base-Base interactions energy: -7.362 where: short stacking energy: -7.362 Base-Backbone interact. energy: -0.000 local terms energy: -13.018112 where: bonds (distance) C4'-P energy: -3.397 bonds (distance) P-C4' energy: -3.751 flat angles C4'-P-C4' energy: -0.747 flat angles P-C4'-P energy: -2.857 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: 10, replica: 2 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -23.150767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.150767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.150767 (E_RNA) where: Base-Base interactions energy: -7.662 where: short stacking energy: -7.662 Base-Backbone interact. energy: -0.000 local terms energy: -15.488334 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -3.786 flat angles C4'-P-C4' energy: -4.383 flat angles P-C4'-P energy: -0.856 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: 1, replica: 1 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -29.443874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.443874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.443874 (E_RNA) where: Base-Base interactions energy: -11.001 where: short stacking energy: -11.001 Base-Backbone interact. energy: -0.000 local terms energy: -18.443101 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -4.413 flat angles C4'-P-C4' energy: -4.257 flat angles P-C4'-P energy: -2.752 tors. eta vs tors. theta energy: -2.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -24.926610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.926610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.926610 (E_RNA) where: Base-Base interactions energy: -8.207 where: short stacking energy: -8.207 Base-Backbone interact. energy: -0.100 local terms energy: -16.619535 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.490 flat angles P-C4'-P energy: -3.229 tors. eta vs tors. theta energy: -0.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -25.989750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.989750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.989750 (E_RNA) where: Base-Base interactions energy: -6.898 where: short stacking energy: -6.898 Base-Backbone interact. energy: -0.000 local terms energy: -19.091734 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.533 flat angles P-C4'-P energy: -4.155 tors. eta vs tors. theta energy: -2.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -25.073541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.073541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.073541 (E_RNA) where: Base-Base interactions energy: -8.025 where: short stacking energy: -8.025 Base-Backbone interact. energy: -0.000 local terms energy: -17.048977 where: bonds (distance) C4'-P energy: -3.708 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.555 flat angles P-C4'-P energy: -2.592 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: 5, replica: 7 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -23.692225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.692225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.692225 (E_RNA) where: Base-Base interactions energy: -7.534 where: short stacking energy: -7.534 Base-Backbone interact. energy: -0.000 local terms energy: -16.158506 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.663 flat angles P-C4'-P energy: -0.953 tors. eta vs tors. theta energy: -2.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -25.149421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.149421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.149421 (E_RNA) where: Base-Base interactions energy: -8.438 where: short stacking energy: -8.438 Base-Backbone interact. energy: -0.000 local terms energy: -16.711497 where: bonds (distance) C4'-P energy: -3.301 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.632 flat angles P-C4'-P energy: -2.773 tors. eta vs tors. theta energy: -1.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -23.039153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.039153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.039153 (E_RNA) where: Base-Base interactions energy: -6.920 where: short stacking energy: -6.920 Base-Backbone interact. energy: -0.007 local terms energy: -16.111986 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.055 flat angles P-C4'-P energy: -2.546 tors. eta vs tors. theta energy: -1.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -24.796655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.796655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.796655 (E_RNA) where: Base-Base interactions energy: -7.381 where: short stacking energy: -7.381 Base-Backbone interact. energy: -0.000 local terms energy: -17.415130 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.290 flat angles P-C4'-P energy: -1.802 tors. eta vs tors. theta energy: -2.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -21.360151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.360151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.360151 (E_RNA) where: Base-Base interactions energy: -4.191 where: short stacking energy: -4.191 Base-Backbone interact. energy: -0.000 local terms energy: -17.168914 where: bonds (distance) C4'-P energy: -3.673 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -1.861 flat angles P-C4'-P energy: -3.568 tors. eta vs tors. theta energy: -2.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -21.876299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.876299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.876299 (E_RNA) where: Base-Base interactions energy: -9.518 where: short stacking energy: -9.518 Base-Backbone interact. energy: -0.000 local terms energy: -12.357888 where: bonds (distance) C4'-P energy: -2.743 bonds (distance) P-C4' energy: -4.044 flat angles C4'-P-C4' energy: -1.383 flat angles P-C4'-P energy: -1.685 tors. eta vs tors. theta energy: -2.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -26.887544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.887544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.887544 (E_RNA) where: Base-Base interactions energy: -5.757 where: short stacking energy: -5.757 Base-Backbone interact. energy: -0.000 local terms energy: -21.130794 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.205 flat angles C4'-P-C4' energy: -4.801 flat angles P-C4'-P energy: -2.993 tors. eta vs tors. theta energy: -4.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -28.427216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.427216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.427216 (E_RNA) where: Base-Base interactions energy: -11.160 where: short stacking energy: -11.160 Base-Backbone interact. energy: -0.006 local terms energy: -17.261556 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -2.699 flat angles P-C4'-P energy: -2.874 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: 3, replica: 6 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -26.727767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.727767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.727767 (E_RNA) where: Base-Base interactions energy: -10.532 where: short stacking energy: -10.532 Base-Backbone interact. energy: -0.000 local terms energy: -16.195491 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.420 flat angles C4'-P-C4' energy: -4.731 flat angles P-C4'-P energy: 0.600 tors. eta vs tors. theta energy: -3.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -26.022064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.022064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.022064 (E_RNA) where: Base-Base interactions energy: -10.900 where: short stacking energy: -10.900 Base-Backbone interact. energy: -0.004 local terms energy: -15.117526 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -4.184 flat angles C4'-P-C4' energy: -4.016 flat angles P-C4'-P energy: -1.992 tors. eta vs tors. theta energy: -0.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -22.135995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.135995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.135995 (E_RNA) where: Base-Base interactions energy: -5.959 where: short stacking energy: -5.959 Base-Backbone interact. energy: -0.008 local terms energy: -16.169560 where: bonds (distance) C4'-P energy: -3.140 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.481 flat angles P-C4'-P energy: -2.826 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: 6, replica: 10 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -21.682349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.682349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.682349 (E_RNA) where: Base-Base interactions energy: -7.404 where: short stacking energy: -7.404 Base-Backbone interact. energy: -0.000 local terms energy: -14.278262 where: bonds (distance) C4'-P energy: -2.452 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -4.574 flat angles P-C4'-P energy: 0.943 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: 7, replica: 8 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -20.584423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.584423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.584423 (E_RNA) where: Base-Base interactions energy: -6.138 where: short stacking energy: -6.138 Base-Backbone interact. energy: -0.044 local terms energy: -14.402477 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -3.584 flat angles P-C4'-P energy: -1.122 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: 8, replica: 2 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -21.353962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.353962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.353962 (E_RNA) where: Base-Base interactions energy: -5.531 where: short stacking energy: -5.531 Base-Backbone interact. energy: -0.000 local terms energy: -15.822992 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -3.723 flat angles C4'-P-C4' energy: -3.618 flat angles P-C4'-P energy: -1.920 tors. eta vs tors. theta energy: -2.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -19.869720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.869720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.869720 (E_RNA) where: Base-Base interactions energy: -2.974 where: short stacking energy: -2.974 Base-Backbone interact. energy: -0.000 local terms energy: -16.896084 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.168 flat angles P-C4'-P energy: -2.584 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: 10, replica: 5 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -22.249516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.249516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.249516 (E_RNA) where: Base-Base interactions energy: -9.222 where: short stacking energy: -9.222 Base-Backbone interact. energy: -0.001 local terms energy: -13.027000 where: bonds (distance) C4'-P energy: -3.301 bonds (distance) P-C4' energy: -4.575 flat angles C4'-P-C4' energy: -3.895 flat angles P-C4'-P energy: -1.347 tors. eta vs tors. theta energy: 0.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -23.202511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.202511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.202511 (E_RNA) where: Base-Base interactions energy: -7.567 where: short stacking energy: -7.567 Base-Backbone interact. energy: -0.000 local terms energy: -15.635050 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.077 flat angles P-C4'-P energy: -2.046 tors. eta vs tors. theta energy: -1.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -31.255911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.255911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.255911 (E_RNA) where: Base-Base interactions energy: -10.566 where: short stacking energy: -10.566 Base-Backbone interact. energy: -0.000 local terms energy: -20.690297 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.659 flat angles P-C4'-P energy: -2.846 tors. eta vs tors. theta energy: -3.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -23.105195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.105195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.105195 (E_RNA) where: Base-Base interactions energy: -6.697 where: short stacking energy: -6.697 Base-Backbone interact. energy: -0.024 local terms energy: -16.383839 where: bonds (distance) C4'-P energy: -3.268 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.239 flat angles P-C4'-P energy: -4.061 tors. eta vs tors. theta energy: -0.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -30.047922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.047922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.047922 (E_RNA) where: Base-Base interactions energy: -10.510 where: short stacking energy: -10.510 Base-Backbone interact. energy: -0.000 local terms energy: -19.538050 where: bonds (distance) C4'-P energy: -3.417 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -4.500 flat angles P-C4'-P energy: -2.748 tors. eta vs tors. theta energy: -3.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -24.148442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.148442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.148442 (E_RNA) where: Base-Base interactions energy: -6.015 where: short stacking energy: -6.015 Base-Backbone interact. energy: -0.000 local terms energy: -18.133182 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -2.170 flat angles P-C4'-P energy: -3.433 tors. eta vs tors. theta energy: -3.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -22.989467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.989467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.989467 (E_RNA) where: Base-Base interactions energy: -3.160 where: short stacking energy: -3.160 Base-Backbone interact. energy: -0.000 local terms energy: -19.829740 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.655 flat angles P-C4'-P energy: -3.588 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: 7, replica: 2 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -25.714735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.714735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.714735 (E_RNA) where: Base-Base interactions energy: -8.023 where: short stacking energy: -8.023 Base-Backbone interact. energy: -0.001 local terms energy: -17.690369 where: bonds (distance) C4'-P energy: -4.009 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -3.815 flat angles P-C4'-P energy: -2.010 tors. eta vs tors. theta energy: -3.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -22.038520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.038520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.038520 (E_RNA) where: Base-Base interactions energy: -6.778 where: short stacking energy: -6.778 Base-Backbone interact. energy: -0.945 local terms energy: -14.315366 where: bonds (distance) C4'-P energy: -1.516 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -3.768 flat angles P-C4'-P energy: -3.398 tors. eta vs tors. theta energy: -0.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -21.564431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.564431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.564431 (E_RNA) where: Base-Base interactions energy: -4.740 where: short stacking energy: -4.740 Base-Backbone interact. energy: -0.000 local terms energy: -16.824336 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -3.781 flat angles P-C4'-P energy: -1.182 tors. eta vs tors. theta energy: -2.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -19.135324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.135324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.135324 (E_RNA) where: Base-Base interactions energy: -3.412 where: short stacking energy: -3.412 Base-Backbone interact. energy: -0.000 local terms energy: -15.723292 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -2.865 flat angles P-C4'-P energy: -1.470 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: 1 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -27.121387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.121387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.121387 (E_RNA) where: Base-Base interactions energy: -7.496 where: short stacking energy: -7.496 Base-Backbone interact. energy: -0.001 local terms energy: -19.624140 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -3.611 flat angles P-C4'-P energy: -3.299 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: 7 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -27.144235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.144235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.144235 (E_RNA) where: Base-Base interactions energy: -9.181 where: short stacking energy: -9.181 Base-Backbone interact. energy: -0.000 local terms energy: -17.963282 where: bonds (distance) C4'-P energy: -2.928 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.325 flat angles P-C4'-P energy: -1.895 tors. eta vs tors. theta energy: -3.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -26.178763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.178763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.178763 (E_RNA) where: Base-Base interactions energy: -8.483 where: short stacking energy: -8.520 Base-Backbone interact. energy: -0.001 local terms energy: -17.694318 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.958 flat angles P-C4'-P energy: -3.235 tors. eta vs tors. theta energy: -0.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -26.087057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.087057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.087057 (E_RNA) where: Base-Base interactions energy: -9.085 where: short stacking energy: -9.085 Base-Backbone interact. energy: -0.000 local terms energy: -17.002158 where: bonds (distance) C4'-P energy: -3.947 bonds (distance) P-C4' energy: -4.569 flat angles C4'-P-C4' energy: -3.360 flat angles P-C4'-P energy: -3.182 tors. eta vs tors. theta energy: -1.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -27.568552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.568552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.568552 (E_RNA) where: Base-Base interactions energy: -10.206 where: short stacking energy: -10.206 Base-Backbone interact. energy: -0.000 local terms energy: -17.362482 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.753 flat angles P-C4'-P energy: -3.417 tors. eta vs tors. theta energy: -1.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -27.179324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.179324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.179324 (E_RNA) where: Base-Base interactions energy: -10.186 where: short stacking energy: -10.186 Base-Backbone interact. energy: -0.000 local terms energy: -16.993610 where: bonds (distance) C4'-P energy: -1.976 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.368 flat angles P-C4'-P energy: -2.185 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: 3 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -21.219426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.219426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.219426 (E_RNA) where: Base-Base interactions energy: -7.816 where: short stacking energy: -7.816 Base-Backbone interact. energy: -1.053 local terms energy: -12.350385 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -4.569 flat angles C4'-P-C4' energy: -2.209 flat angles P-C4'-P energy: -2.977 tors. eta vs tors. theta energy: 0.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -27.335063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.335063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.335063 (E_RNA) where: Base-Base interactions energy: -11.486 where: short stacking energy: -11.486 Base-Backbone interact. energy: -0.000 local terms energy: -15.849020 where: bonds (distance) C4'-P energy: -2.980 bonds (distance) P-C4' energy: -2.494 flat angles C4'-P-C4' energy: -2.979 flat angles P-C4'-P energy: -2.977 tors. eta vs tors. theta energy: -4.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -20.997166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.997166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.997166 (E_RNA) where: Base-Base interactions energy: -7.029 where: short stacking energy: -7.029 Base-Backbone interact. energy: -0.000 local terms energy: -13.968257 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -4.159 flat angles C4'-P-C4' energy: -4.928 flat angles P-C4'-P energy: 1.178 tors. eta vs tors. theta energy: -1.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -19.866651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.866651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.866651 (E_RNA) where: Base-Base interactions energy: -2.713 where: short stacking energy: -2.713 Base-Backbone interact. energy: -0.000 local terms energy: -17.153632 where: bonds (distance) C4'-P energy: -3.190 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.311 flat angles P-C4'-P energy: -3.617 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: 1, replica: 7 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -31.432107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.432107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.432107 (E_RNA) where: Base-Base interactions energy: -11.558 where: short stacking energy: -11.558 Base-Backbone interact. energy: -0.000 local terms energy: -19.874485 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.500 flat angles P-C4'-P energy: -2.108 tors. eta vs tors. theta energy: -4.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -24.556806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.556806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.556806 (E_RNA) where: Base-Base interactions energy: -7.381 where: short stacking energy: -7.381 Base-Backbone interact. energy: -0.000 local terms energy: -17.175660 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.420 flat angles C4'-P-C4' energy: -4.875 flat angles P-C4'-P energy: -2.022 tors. eta vs tors. theta energy: -1.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -30.090554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.090554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.090554 (E_RNA) where: Base-Base interactions energy: -12.009 where: short stacking energy: -12.009 Base-Backbone interact. energy: -0.000 local terms energy: -18.080601 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.289 flat angles P-C4'-P energy: -2.819 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: 4, replica: 9 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -25.772074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.772074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.772074 (E_RNA) where: Base-Base interactions energy: -7.459 where: short stacking energy: -7.459 Base-Backbone interact. energy: -0.001 local terms energy: -18.312892 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -3.336 flat angles C4'-P-C4' energy: -3.724 flat angles P-C4'-P energy: -3.459 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: 2 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -22.333247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.333247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.333247 (E_RNA) where: Base-Base interactions energy: -7.484 where: short stacking energy: -7.484 Base-Backbone interact. energy: -0.000 local terms energy: -14.849597 where: bonds (distance) C4'-P energy: -2.668 bonds (distance) P-C4' energy: -3.656 flat angles C4'-P-C4' energy: -4.805 flat angles P-C4'-P energy: -2.584 tors. eta vs tors. theta energy: -1.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -24.026887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.026887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.026887 (E_RNA) where: Base-Base interactions energy: -7.547 where: short stacking energy: -7.547 Base-Backbone interact. energy: -0.000 local terms energy: -16.479618 where: bonds (distance) C4'-P energy: -3.442 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -3.323 flat angles P-C4'-P energy: -1.067 tors. eta vs tors. theta energy: -3.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -23.670664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.670664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.670664 (E_RNA) where: Base-Base interactions energy: -6.063 where: short stacking energy: -6.063 Base-Backbone interact. energy: -0.001 local terms energy: -17.606828 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -3.576 flat angles P-C4'-P energy: -2.450 tors. eta vs tors. theta energy: -2.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -22.442862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.442862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.442862 (E_RNA) where: Base-Base interactions energy: -4.912 where: short stacking energy: -4.912 Base-Backbone interact. energy: -0.000 local terms energy: -17.531185 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -3.941 flat angles C4'-P-C4' energy: -3.195 flat angles P-C4'-P energy: -3.938 tors. eta vs tors. theta energy: -2.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -22.375854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.375854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.375854 (E_RNA) where: Base-Base interactions energy: -3.488 where: short stacking energy: -3.488 Base-Backbone interact. energy: -0.000 local terms energy: -18.888257 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.480 flat angles P-C4'-P energy: -3.043 tors. eta vs tors. theta energy: -2.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -18.699412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.699412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.699412 (E_RNA) where: Base-Base interactions energy: -4.267 where: short stacking energy: -4.267 Base-Backbone interact. energy: -0.007 local terms energy: -14.425718 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.450 flat angles P-C4'-P energy: -2.590 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: 1, replica: 7 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -31.292591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.292591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.292591 (E_RNA) where: Base-Base interactions energy: -10.114 where: short stacking energy: -10.114 Base-Backbone interact. energy: -0.000 local terms energy: -21.178977 where: bonds (distance) C4'-P energy: -4.063 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.963 flat angles P-C4'-P energy: -3.018 tors. eta vs tors. theta energy: -5.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -29.370309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.370309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.370309 (E_RNA) where: Base-Base interactions energy: -13.049 where: short stacking energy: -13.049 Base-Backbone interact. energy: -0.000 local terms energy: -16.321346 where: bonds (distance) C4'-P energy: -3.202 bonds (distance) P-C4' energy: -3.821 flat angles C4'-P-C4' energy: -4.192 flat angles P-C4'-P energy: -0.773 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: 3, replica: 1 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -25.785288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.785288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.785288 (E_RNA) where: Base-Base interactions energy: -8.450 where: short stacking energy: -8.450 Base-Backbone interact. energy: 0.317 local terms energy: -17.652314 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -4.064 flat angles P-C4'-P energy: -2.344 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: 4, replica: 2 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -29.649813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.649813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.649813 (E_RNA) where: Base-Base interactions energy: -11.872 where: short stacking energy: -11.872 Base-Backbone interact. energy: -0.000 local terms energy: -17.778094 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -4.311 flat angles C4'-P-C4' energy: -3.744 flat angles P-C4'-P energy: -3.666 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: 5, replica: 9 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -26.086723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.086723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.086723 (E_RNA) where: Base-Base interactions energy: -11.814 where: short stacking energy: -11.814 Base-Backbone interact. energy: -0.001 local terms energy: -14.272075 where: bonds (distance) C4'-P energy: -2.680 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -2.446 flat angles P-C4'-P energy: -3.984 tors. eta vs tors. theta energy: -0.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -24.604141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.604141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.604141 (E_RNA) where: Base-Base interactions energy: -7.839 where: short stacking energy: -7.839 Base-Backbone interact. energy: -0.000 local terms energy: -16.765010 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.413 flat angles C4'-P-C4' energy: -4.256 flat angles P-C4'-P energy: -2.933 tors. eta vs tors. theta energy: -0.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -21.377227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.377227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.377227 (E_RNA) where: Base-Base interactions energy: -6.928 where: short stacking energy: -6.928 Base-Backbone interact. energy: -0.000 local terms energy: -14.449431 where: bonds (distance) C4'-P energy: -2.676 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -2.947 flat angles P-C4'-P energy: -2.839 tors. eta vs tors. theta energy: -1.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -19.782398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.782398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.782398 (E_RNA) where: Base-Base interactions energy: -5.715 where: short stacking energy: -5.715 Base-Backbone interact. energy: -0.000 local terms energy: -14.067076 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -3.165 flat angles P-C4'-P energy: -1.770 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: 9, replica: 3 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -22.554537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.554537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.554537 (E_RNA) where: Base-Base interactions energy: -10.335 where: short stacking energy: -10.335 Base-Backbone interact. energy: -0.000 local terms energy: -12.219476 where: bonds (distance) C4'-P energy: -1.472 bonds (distance) P-C4' energy: -2.612 flat angles C4'-P-C4' energy: -3.972 flat angles P-C4'-P energy: -2.638 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: 5 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -24.191438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.191438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.191438 (E_RNA) where: Base-Base interactions energy: -6.989 where: short stacking energy: -6.989 Base-Backbone interact. energy: -0.000 local terms energy: -17.202384 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.631 flat angles C4'-P-C4' energy: -2.739 flat angles P-C4'-P energy: -1.781 tors. eta vs tors. theta energy: -3.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -33.458663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.458663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.458663 (E_RNA) where: Base-Base interactions energy: -12.046 where: short stacking energy: -12.046 Base-Backbone interact. energy: -0.000 local terms energy: -21.413050 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.290 flat angles P-C4'-P energy: -4.091 tors. eta vs tors. theta energy: -3.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -27.279567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.279567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.279567 (E_RNA) where: Base-Base interactions energy: -8.403 where: short stacking energy: -8.403 Base-Backbone interact. energy: -0.000 local terms energy: -18.876535 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.397 flat angles P-C4'-P energy: -2.669 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: 3, replica: 2 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -24.068866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.068866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.068866 (E_RNA) where: Base-Base interactions energy: -3.773 where: short stacking energy: -3.773 Base-Backbone interact. energy: -0.078 local terms energy: -20.217668 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.525 flat angles P-C4'-P energy: -2.946 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: 1 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -21.666224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.666224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.666224 (E_RNA) where: Base-Base interactions energy: -3.648 where: short stacking energy: -3.648 Base-Backbone interact. energy: -0.000 local terms energy: -18.018351 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.044 flat angles P-C4'-P energy: -2.217 tors. eta vs tors. theta energy: -3.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -24.206043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.206043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.206043 (E_RNA) where: Base-Base interactions energy: -7.128 where: short stacking energy: -7.128 Base-Backbone interact. energy: -0.000 local terms energy: -17.077554 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.040 flat angles P-C4'-P energy: -3.598 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: 6, replica: 9 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -25.148603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.148603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.148603 (E_RNA) where: Base-Base interactions energy: -10.271 where: short stacking energy: -10.271 Base-Backbone interact. energy: -0.000 local terms energy: -14.877688 where: bonds (distance) C4'-P energy: -2.510 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.190 flat angles P-C4'-P energy: -2.618 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: 4 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -23.974994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.974994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.974994 (E_RNA) where: Base-Base interactions energy: -8.758 where: short stacking energy: -8.758 Base-Backbone interact. energy: -0.000 local terms energy: -15.216726 where: bonds (distance) C4'-P energy: -3.104 bonds (distance) P-C4' energy: -3.815 flat angles C4'-P-C4' energy: -4.305 flat angles P-C4'-P energy: -1.686 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: 8, replica: 6 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -24.981338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.981338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.981338 (E_RNA) where: Base-Base interactions energy: -7.879 where: short stacking energy: -7.879 Base-Backbone interact. energy: -0.000 local terms energy: -17.102003 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -3.966 flat angles C4'-P-C4' energy: -4.472 flat angles P-C4'-P energy: -2.823 tors. eta vs tors. theta energy: -1.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -22.351657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.351657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.351657 (E_RNA) where: Base-Base interactions energy: -7.650 where: short stacking energy: -7.650 Base-Backbone interact. energy: -0.000 local terms energy: -14.701678 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -3.302 flat angles P-C4'-P energy: -2.752 tors. eta vs tors. theta energy: -0.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -19.952860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.952860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.952860 (E_RNA) where: Base-Base interactions energy: -4.645 where: short stacking energy: -4.645 Base-Backbone interact. energy: -0.003 local terms energy: -15.305132 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -4.746 flat angles P-C4'-P energy: -1.879 tors. eta vs tors. theta energy: 0.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -27.297771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.297771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.297771 (E_RNA) where: Base-Base interactions energy: -9.249 where: short stacking energy: -9.249 Base-Backbone interact. energy: -0.000 local terms energy: -18.049255 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.447 flat angles P-C4'-P energy: -2.704 tors. eta vs tors. theta energy: -3.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -29.632180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.632180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.632180 (E_RNA) where: Base-Base interactions energy: -12.496 where: short stacking energy: -12.496 Base-Backbone interact. energy: -0.000 local terms energy: -17.136163 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -3.103 flat angles C4'-P-C4' energy: -2.772 flat angles P-C4'-P energy: -3.043 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: 3, replica: 7 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -24.595446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.595446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.595446 (E_RNA) where: Base-Base interactions energy: -7.902 where: short stacking energy: -7.902 Base-Backbone interact. energy: -0.023 local terms energy: -16.670478 where: bonds (distance) C4'-P energy: -3.161 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.705 flat angles P-C4'-P energy: -3.637 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: 4, replica: 8 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -24.886096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.886096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.886096 (E_RNA) where: Base-Base interactions energy: -7.216 where: short stacking energy: -7.216 Base-Backbone interact. energy: -0.000 local terms energy: -17.669759 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.928 flat angles P-C4'-P energy: -2.474 tors. eta vs tors. theta energy: -2.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -22.975955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.975955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.975955 (E_RNA) where: Base-Base interactions energy: -7.328 where: short stacking energy: -7.328 Base-Backbone interact. energy: -0.000 local terms energy: -15.648303 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.324 flat angles P-C4'-P energy: -1.433 tors. eta vs tors. theta energy: -1.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -23.289596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.289596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.289596 (E_RNA) where: Base-Base interactions energy: -6.123 where: short stacking energy: -6.123 Base-Backbone interact. energy: -0.000 local terms energy: -17.166636 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -4.606 flat angles C4'-P-C4' energy: -4.118 flat angles P-C4'-P energy: -2.258 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: 7, replica: 9 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -23.518016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.518016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.518016 (E_RNA) where: Base-Base interactions energy: -3.844 where: short stacking energy: -3.844 Base-Backbone interact. energy: -0.005 local terms energy: -19.669129 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.224 flat angles P-C4'-P energy: -3.291 tors. eta vs tors. theta energy: -2.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -26.931249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.931249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.931249 (E_RNA) where: Base-Base interactions energy: -10.146 where: short stacking energy: -10.146 Base-Backbone interact. energy: -0.000 local terms energy: -16.785373 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -3.818 flat angles C4'-P-C4' energy: -2.244 flat angles P-C4'-P energy: -2.923 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: 9, replica: 6 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -20.647486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.647486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.647486 (E_RNA) where: Base-Base interactions energy: -4.386 where: short stacking energy: -4.386 Base-Backbone interact. energy: -0.090 local terms energy: -16.171811 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -3.557 flat angles C4'-P-C4' energy: -3.980 flat angles P-C4'-P energy: -2.852 tors. eta vs tors. theta energy: -1.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -19.632053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.632053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.632053 (E_RNA) where: Base-Base interactions energy: -6.162 where: short stacking energy: -6.162 Base-Backbone interact. energy: -0.000 local terms energy: -13.470009 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -4.152 flat angles C4'-P-C4' energy: -1.192 flat angles P-C4'-P energy: -2.811 tors. eta vs tors. theta energy: -1.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -24.916961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.916961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.916961 (E_RNA) where: Base-Base interactions energy: -7.050 where: short stacking energy: -7.050 Base-Backbone interact. energy: -0.001 local terms energy: -17.865312 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.456 flat angles P-C4'-P energy: -1.839 tors. eta vs tors. theta energy: -2.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -24.517459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.517459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.517459 (E_RNA) where: Base-Base interactions energy: -7.598 where: short stacking energy: -7.598 Base-Backbone interact. energy: -0.000 local terms energy: -16.918997 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.068 flat angles P-C4'-P energy: -2.932 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: 8 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -28.632783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.632783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.632783 (E_RNA) where: Base-Base interactions energy: -11.466 where: short stacking energy: -11.466 Base-Backbone interact. energy: -0.000 local terms energy: -17.167058 where: bonds (distance) C4'-P energy: -3.442 bonds (distance) P-C4' energy: -4.339 flat angles C4'-P-C4' energy: -4.695 flat angles P-C4'-P energy: -2.036 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: 4, replica: 7 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -26.597780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.597780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.597780 (E_RNA) where: Base-Base interactions energy: -7.970 where: short stacking energy: -7.970 Base-Backbone interact. energy: -0.000 local terms energy: -18.627901 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.591 flat angles P-C4'-P energy: -3.441 tors. eta vs tors. theta energy: -2.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -21.905713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.905713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.905713 (E_RNA) where: Base-Base interactions energy: -4.809 where: short stacking energy: -4.809 Base-Backbone interact. energy: -0.000 local terms energy: -17.096970 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.333 flat angles P-C4'-P energy: -3.398 tors. eta vs tors. theta energy: -0.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -21.503016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.503016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.503016 (E_RNA) where: Base-Base interactions energy: -4.330 where: short stacking energy: -4.330 Base-Backbone interact. energy: -0.011 local terms energy: -17.162153 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -3.401 flat angles P-C4'-P energy: -3.892 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: 7, replica: 5 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -19.445370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.445370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.445370 (E_RNA) where: Base-Base interactions energy: -3.265 where: short stacking energy: -3.265 Base-Backbone interact. energy: -0.087 local terms energy: -16.092812 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -3.519 flat angles P-C4'-P energy: -3.433 tors. eta vs tors. theta energy: -0.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -21.128512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.128512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.128512 (E_RNA) where: Base-Base interactions energy: -4.304 where: short stacking energy: -4.304 Base-Backbone interact. energy: -0.013 local terms energy: -16.812313 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -3.128 flat angles C4'-P-C4' energy: -4.186 flat angles P-C4'-P energy: -3.384 tors. eta vs tors. theta energy: -2.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -24.297856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.297856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.297856 (E_RNA) where: Base-Base interactions energy: -5.401 where: short stacking energy: -5.401 Base-Backbone interact. energy: 0.141 local terms energy: -19.037977 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.335 flat angles P-C4'-P energy: -2.853 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: 10, replica: 6 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -19.437844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.437844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.437844 (E_RNA) where: Base-Base interactions energy: -3.204 where: short stacking energy: -3.204 Base-Backbone interact. energy: -0.164 local terms energy: -16.070637 where: bonds (distance) C4'-P energy: -3.053 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.074 flat angles P-C4'-P energy: -2.771 tors. eta vs tors. theta energy: -1.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -30.155973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.155973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.155973 (E_RNA) where: Base-Base interactions energy: -11.429 where: short stacking energy: -11.429 Base-Backbone interact. energy: -0.000 local terms energy: -18.727193 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.639 flat angles P-C4'-P energy: -3.477 tors. eta vs tors. theta energy: -2.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -33.554357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.554357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.554357 (E_RNA) where: Base-Base interactions energy: -12.664 where: short stacking energy: -12.664 Base-Backbone interact. energy: -0.000 local terms energy: -20.890508 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.928 flat angles P-C4'-P energy: -3.938 tors. eta vs tors. theta energy: -3.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -25.315338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.315338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.315338 (E_RNA) where: Base-Base interactions energy: -9.962 where: short stacking energy: -9.962 Base-Backbone interact. energy: -0.000 local terms energy: -15.353431 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -4.695 flat angles P-C4'-P energy: -3.142 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: 4 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -24.593458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.593458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.593458 (E_RNA) where: Base-Base interactions energy: -6.343 where: short stacking energy: -6.343 Base-Backbone interact. energy: -0.001 local terms energy: -18.248905 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -2.822 flat angles P-C4'-P energy: -3.228 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: 5, replica: 7 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -21.827373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.827373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.827373 (E_RNA) where: Base-Base interactions energy: -4.193 where: short stacking energy: -4.193 Base-Backbone interact. energy: -0.000 local terms energy: -17.634403 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -3.671 flat angles P-C4'-P energy: -3.984 tors. eta vs tors. theta energy: -1.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -28.053433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.053433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.053433 (E_RNA) where: Base-Base interactions energy: -11.270 where: short stacking energy: -11.270 Base-Backbone interact. energy: -0.000 local terms energy: -16.783240 where: bonds (distance) C4'-P energy: -2.975 bonds (distance) P-C4' energy: -2.864 flat angles C4'-P-C4' energy: -4.310 flat angles P-C4'-P energy: -2.952 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: 1 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -24.422367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.422367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.422367 (E_RNA) where: Base-Base interactions energy: -7.955 where: short stacking energy: -7.955 Base-Backbone interact. energy: -0.000 local terms energy: -16.466912 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -3.131 flat angles C4'-P-C4' energy: -3.571 flat angles P-C4'-P energy: -3.836 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: 8, replica: 3 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -21.428088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.428088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.428088 (E_RNA) where: Base-Base interactions energy: -6.400 where: short stacking energy: -6.400 Base-Backbone interact. energy: -0.000 local terms energy: -15.027726 where: bonds (distance) C4'-P energy: -3.451 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -2.997 flat angles P-C4'-P energy: -3.107 tors. eta vs tors. theta energy: -1.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -22.643854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.643854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.643854 (E_RNA) where: Base-Base interactions energy: -6.304 where: short stacking energy: -6.304 Base-Backbone interact. energy: -0.000 local terms energy: -16.339281 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.976 flat angles P-C4'-P energy: -1.690 tors. eta vs tors. theta energy: -1.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -20.378071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.378071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.378071 (E_RNA) where: Base-Base interactions energy: -6.597 where: short stacking energy: -6.597 Base-Backbone interact. energy: -0.000 local terms energy: -13.781217 where: bonds (distance) C4'-P energy: -2.689 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -2.971 flat angles P-C4'-P energy: -3.138 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: 2 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -27.786087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.786087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.786087 (E_RNA) where: Base-Base interactions energy: -11.845 where: short stacking energy: -11.845 Base-Backbone interact. energy: -0.000 local terms energy: -15.940853 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -4.054 flat angles C4'-P-C4' energy: -4.188 flat angles P-C4'-P energy: -2.064 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: 2, replica: 10 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -25.530327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.530327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.530327 (E_RNA) where: Base-Base interactions energy: -10.331 where: short stacking energy: -10.331 Base-Backbone interact. energy: -0.000 local terms energy: -15.199426 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -2.321 flat angles C4'-P-C4' energy: -4.486 flat angles P-C4'-P energy: -3.666 tors. eta vs tors. theta energy: -1.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -25.501285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.501285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.501285 (E_RNA) where: Base-Base interactions energy: -8.024 where: short stacking energy: -8.024 Base-Backbone interact. energy: -0.016 local terms energy: -17.461442 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -3.811 flat angles C4'-P-C4' energy: -4.557 flat angles P-C4'-P energy: -3.119 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: 4, replica: 8 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -27.886403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.886403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.886403 (E_RNA) where: Base-Base interactions energy: -11.059 where: short stacking energy: -11.059 Base-Backbone interact. energy: -0.000 local terms energy: -16.827554 where: bonds (distance) C4'-P energy: -3.272 bonds (distance) P-C4' energy: -3.793 flat angles C4'-P-C4' energy: -3.188 flat angles P-C4'-P energy: -3.140 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: 5, replica: 5 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -23.499532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.499532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.499532 (E_RNA) where: Base-Base interactions energy: -7.826 where: short stacking energy: -7.826 Base-Backbone interact. energy: -0.001 local terms energy: -15.672361 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.702 flat angles P-C4'-P energy: -1.688 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: 7 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -26.539842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.539842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.539842 (E_RNA) where: Base-Base interactions energy: -4.623 where: short stacking energy: -4.623 Base-Backbone interact. energy: -0.000 local terms energy: -21.916788 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.962 flat angles P-C4'-P energy: -3.438 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: 7, replica: 3 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -26.708374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.708374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.708374 (E_RNA) where: Base-Base interactions energy: -10.253 where: short stacking energy: -10.253 Base-Backbone interact. energy: -0.000 local terms energy: -16.455299 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.046 flat angles P-C4'-P energy: -3.007 tors. eta vs tors. theta energy: -1.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -22.615987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.615987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.615987 (E_RNA) where: Base-Base interactions energy: -5.399 where: short stacking energy: -5.399 Base-Backbone interact. energy: -0.000 local terms energy: -17.217338 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.572 flat angles P-C4'-P energy: -2.936 tors. eta vs tors. theta energy: -1.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -21.436440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.436440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.436440 (E_RNA) where: Base-Base interactions energy: -7.556 where: short stacking energy: -7.556 Base-Backbone interact. energy: -0.032 local terms energy: -13.848548 where: bonds (distance) C4'-P energy: -2.900 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -3.941 flat angles P-C4'-P energy: -3.235 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: 6 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -20.513724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.513724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.513724 (E_RNA) where: Base-Base interactions energy: -5.739 where: short stacking energy: -3.425 Base-Backbone interact. energy: -0.043 local terms energy: -14.730935 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -3.544 flat angles C4'-P-C4' energy: -3.935 flat angles P-C4'-P energy: -2.590 tors. eta vs tors. theta energy: -0.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -28.171957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.171957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.171957 (E_RNA) where: Base-Base interactions energy: -8.907 where: short stacking energy: -8.907 Base-Backbone interact. energy: -0.004 local terms energy: -19.260847 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.242 flat angles P-C4'-P energy: -2.737 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: 2, replica: 4 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -27.077159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.077159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.077159 (E_RNA) where: Base-Base interactions energy: -10.006 where: short stacking energy: -10.006 Base-Backbone interact. energy: -0.016 local terms energy: -17.055705 where: bonds (distance) C4'-P energy: -2.954 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.186 flat angles P-C4'-P energy: -3.497 tors. eta vs tors. theta energy: -1.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -31.335366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.335366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.335366 (E_RNA) where: Base-Base interactions energy: -10.227 where: short stacking energy: -10.227 Base-Backbone interact. energy: -0.000 local terms energy: -21.108017 where: bonds (distance) C4'-P energy: -2.913 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.467 flat angles P-C4'-P energy: -3.475 tors. eta vs tors. theta energy: -5.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -23.880244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.880244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.880244 (E_RNA) where: Base-Base interactions energy: -6.767 where: short stacking energy: -6.767 Base-Backbone interact. energy: -0.472 local terms energy: -16.640739 where: bonds (distance) C4'-P energy: -3.053 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -2.883 flat angles P-C4'-P energy: -3.339 tors. eta vs tors. theta energy: -2.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -26.159889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.159889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.159889 (E_RNA) where: Base-Base interactions energy: -8.247 where: short stacking energy: -8.247 Base-Backbone interact. energy: -0.004 local terms energy: -17.908175 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -2.660 flat angles P-C4'-P energy: -3.678 tors. eta vs tors. theta energy: -1.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -22.366152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.366152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.366152 (E_RNA) where: Base-Base interactions energy: -5.246 where: short stacking energy: -5.246 Base-Backbone interact. energy: -0.001 local terms energy: -17.119443 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -2.956 flat angles P-C4'-P energy: -3.066 tors. eta vs tors. theta energy: -1.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -24.948212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.948212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.948212 (E_RNA) where: Base-Base interactions energy: -8.875 where: short stacking energy: -8.875 Base-Backbone interact. energy: -0.000 local terms energy: -16.072973 where: bonds (distance) C4'-P energy: -3.185 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.434 flat angles P-C4'-P energy: -2.796 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: 8, replica: 9 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -21.320838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.320838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.320838 (E_RNA) where: Base-Base interactions energy: -5.824 where: short stacking energy: -5.824 Base-Backbone interact. energy: -0.011 local terms energy: -15.486606 where: bonds (distance) C4'-P energy: -3.016 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.746 flat angles P-C4'-P energy: -3.721 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: 9, replica: 1 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -23.655963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.655963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.655963 (E_RNA) where: Base-Base interactions energy: -7.435 where: short stacking energy: -7.435 Base-Backbone interact. energy: -0.007 local terms energy: -16.214085 where: bonds (distance) C4'-P energy: -3.533 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.032 flat angles P-C4'-P energy: -1.226 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: 10, replica: 6 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -22.569183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.569183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.569183 (E_RNA) where: Base-Base interactions energy: -5.479 where: short stacking energy: -5.479 Base-Backbone interact. energy: -0.000 local terms energy: -17.090565 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.113 flat angles P-C4'-P energy: -3.605 tors. eta vs tors. theta energy: -0.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -28.980269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.980269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.980269 (E_RNA) where: Base-Base interactions energy: -9.244 where: short stacking energy: -9.244 Base-Backbone interact. energy: -0.000 local terms energy: -19.735831 where: bonds (distance) C4'-P energy: -3.645 bonds (distance) P-C4' energy: -4.054 flat angles C4'-P-C4' energy: -4.163 flat angles P-C4'-P energy: -3.593 tors. eta vs tors. theta energy: -4.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -22.953074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.953074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.953074 (E_RNA) where: Base-Base interactions energy: -6.765 where: short stacking energy: -6.765 Base-Backbone interact. energy: -0.033 local terms energy: -16.154816 where: bonds (distance) C4'-P energy: -2.859 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.871 flat angles P-C4'-P energy: -3.721 tors. eta vs tors. theta energy: -0.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -31.379425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.379425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.379425 (E_RNA) where: Base-Base interactions energy: -11.730 where: short stacking energy: -11.730 Base-Backbone interact. energy: -0.000 local terms energy: -19.649002 where: bonds (distance) C4'-P energy: -4.448 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -4.368 flat angles P-C4'-P energy: -2.789 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: 10 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -26.714701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.714701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.714701 (E_RNA) where: Base-Base interactions energy: -10.925 where: short stacking energy: -10.925 Base-Backbone interact. energy: -0.000 local terms energy: -15.789513 where: bonds (distance) C4'-P energy: -3.281 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.206 flat angles P-C4'-P energy: -1.924 tors. eta vs tors. theta energy: -1.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -26.486146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.486146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.486146 (E_RNA) where: Base-Base interactions energy: -9.035 where: short stacking energy: -9.035 Base-Backbone interact. energy: -0.000 local terms energy: -17.450745 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -3.885 flat angles C4'-P-C4' energy: -3.589 flat angles P-C4'-P energy: -1.819 tors. eta vs tors. theta energy: -4.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -26.156941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.156941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.156941 (E_RNA) where: Base-Base interactions energy: -6.736 where: short stacking energy: -6.736 Base-Backbone interact. energy: -0.000 local terms energy: -19.420639 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.855 flat angles P-C4'-P energy: -3.254 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: 7, replica: 9 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -24.417752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.417752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.417752 (E_RNA) where: Base-Base interactions energy: -7.307 where: short stacking energy: -7.307 Base-Backbone interact. energy: -0.001 local terms energy: -17.110163 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -4.447 flat angles P-C4'-P energy: -1.681 tors. eta vs tors. theta energy: -2.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -20.855499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.855499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.855499 (E_RNA) where: Base-Base interactions energy: -2.827 where: short stacking energy: -2.827 Base-Backbone interact. energy: -0.000 local terms energy: -18.028082 where: bonds (distance) C4'-P energy: -3.939 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.277 flat angles P-C4'-P energy: -3.702 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: 9, replica: 6 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -22.080094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.080094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.080094 (E_RNA) where: Base-Base interactions energy: -5.459 where: short stacking energy: -5.459 Base-Backbone interact. energy: -0.017 local terms energy: -16.604662 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.819 flat angles P-C4'-P energy: -0.515 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: 10, replica: 1 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -28.977777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.977777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.977777 (E_RNA) where: Base-Base interactions energy: -11.415 where: short stacking energy: -11.415 Base-Backbone interact. energy: -0.078 local terms energy: -17.484193 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.167 flat angles P-C4'-P energy: -3.235 tors. eta vs tors. theta energy: -1.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -31.106676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.106676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.106676 (E_RNA) where: Base-Base interactions energy: -11.828 where: short stacking energy: -11.828 Base-Backbone interact. energy: -0.000 local terms energy: -19.278680 where: bonds (distance) C4'-P energy: -3.091 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.452 flat angles P-C4'-P energy: -3.336 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: 8 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -25.041719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.041719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.041719 (E_RNA) where: Base-Base interactions energy: -7.912 where: short stacking energy: -7.912 Base-Backbone interact. energy: -0.000 local terms energy: -17.129329 where: bonds (distance) C4'-P energy: -3.889 bonds (distance) P-C4' energy: -4.367 flat angles C4'-P-C4' energy: -4.888 flat angles P-C4'-P energy: -1.531 tors. eta vs tors. theta energy: -2.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -26.887376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.887376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.887376 (E_RNA) where: Base-Base interactions energy: -9.169 where: short stacking energy: -9.169 Base-Backbone interact. energy: -0.020 local terms energy: -17.698018 where: bonds (distance) C4'-P energy: -4.270 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.303 flat angles P-C4'-P energy: -2.689 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: 4, replica: 3 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -28.494837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.494837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.494837 (E_RNA) where: Base-Base interactions energy: -8.649 where: short stacking energy: -8.649 Base-Backbone interact. energy: -0.000 local terms energy: -19.846198 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.276 flat angles P-C4'-P energy: -2.905 tors. eta vs tors. theta energy: -4.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -22.963151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.963151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.963151 (E_RNA) where: Base-Base interactions energy: -5.852 where: short stacking energy: -5.852 Base-Backbone interact. energy: -0.000 local terms energy: -17.110685 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.078 flat angles P-C4'-P energy: -1.862 tors. eta vs tors. theta energy: -1.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -21.821171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.821171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.821171 (E_RNA) where: Base-Base interactions energy: -7.635 where: short stacking energy: -7.635 Base-Backbone interact. energy: -0.009 local terms energy: -14.178009 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.459 flat angles P-C4'-P energy: -2.720 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: 7, replica: 5 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -20.361458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.361458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.361458 (E_RNA) where: Base-Base interactions energy: -2.834 where: short stacking energy: -2.834 Base-Backbone interact. energy: -0.000 local terms energy: -17.527596 where: bonds (distance) C4'-P energy: -2.743 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.206 flat angles P-C4'-P energy: -2.972 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: 8, replica: 6 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -23.416500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.416500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.416500 (E_RNA) where: Base-Base interactions energy: -5.903 where: short stacking energy: -5.903 Base-Backbone interact. energy: -0.000 local terms energy: -17.513392 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.099 flat angles P-C4'-P energy: -2.634 tors. eta vs tors. theta energy: -3.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -22.323194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.323194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.323194 (E_RNA) where: Base-Base interactions energy: -8.159 where: short stacking energy: -8.159 Base-Backbone interact. energy: -0.000 local terms energy: -14.164476 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -2.058 flat angles P-C4'-P energy: 0.407 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: 10, replica: 1 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -22.135172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.135172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.135172 (E_RNA) where: Base-Base interactions energy: -3.661 where: short stacking energy: -4.092 Base-Backbone interact. energy: -0.101 local terms energy: -18.372484 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.313 flat angles P-C4'-P energy: -3.909 tors. eta vs tors. theta energy: -1.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -24.935734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.935734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.935734 (E_RNA) where: Base-Base interactions energy: -6.048 where: short stacking energy: -6.048 Base-Backbone interact. energy: -0.048 local terms energy: -18.840260 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.544 flat angles P-C4'-P energy: -3.976 tors. eta vs tors. theta energy: -0.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -28.656416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.656416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.656416 (E_RNA) where: Base-Base interactions energy: -11.107 where: short stacking energy: -11.107 Base-Backbone interact. energy: -0.000 local terms energy: -17.549366 where: bonds (distance) C4'-P energy: -2.387 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.761 flat angles P-C4'-P energy: -3.163 tors. eta vs tors. theta energy: -2.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -27.688039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.688039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.688039 (E_RNA) where: Base-Base interactions energy: -11.027 where: short stacking energy: -11.027 Base-Backbone interact. energy: -0.001 local terms energy: -16.660428 where: bonds (distance) C4'-P energy: -2.920 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.084 flat angles P-C4'-P energy: -3.150 tors. eta vs tors. theta energy: -1.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -24.228653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.228653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.228653 (E_RNA) where: Base-Base interactions energy: -7.847 where: short stacking energy: -7.847 Base-Backbone interact. energy: -0.003 local terms energy: -16.379516 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.615 flat angles P-C4'-P energy: -1.595 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: 5, replica: 9 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -24.460894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.460894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.460894 (E_RNA) where: Base-Base interactions energy: -7.491 where: short stacking energy: -7.491 Base-Backbone interact. energy: -0.000 local terms energy: -16.970282 where: bonds (distance) C4'-P energy: -2.970 bonds (distance) P-C4' energy: -3.414 flat angles C4'-P-C4' energy: -4.924 flat angles P-C4'-P energy: -2.337 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: 6, replica: 10 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -23.999187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.999187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.999187 (E_RNA) where: Base-Base interactions energy: -9.821 where: short stacking energy: -9.821 Base-Backbone interact. energy: -0.000 local terms energy: -14.178104 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -1.974 flat angles P-C4'-P energy: -1.163 tors. eta vs tors. theta energy: -1.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -23.189521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.189521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.189521 (E_RNA) where: Base-Base interactions energy: -6.702 where: short stacking energy: -6.702 Base-Backbone interact. energy: -0.000 local terms energy: -16.487589 where: bonds (distance) C4'-P energy: -3.053 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.357 flat angles P-C4'-P energy: -3.928 tors. eta vs tors. theta energy: -1.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -24.697385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.697385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.697385 (E_RNA) where: Base-Base interactions energy: -7.343 where: short stacking energy: -7.343 Base-Backbone interact. energy: -0.089 local terms energy: -17.264953 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -3.818 flat angles C4'-P-C4' energy: -3.953 flat angles P-C4'-P energy: -3.459 tors. eta vs tors. theta energy: -2.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -19.958981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.958981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.958981 (E_RNA) where: Base-Base interactions energy: -4.037 where: short stacking energy: -4.037 Base-Backbone interact. energy: -0.000 local terms energy: -15.921466 where: bonds (distance) C4'-P energy: -3.124 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.500 flat angles P-C4'-P energy: -2.235 tors. eta vs tors. theta energy: -0.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -22.497325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.497325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.497325 (E_RNA) where: Base-Base interactions energy: -7.165 where: short stacking energy: -7.165 Base-Backbone interact. energy: -0.000 local terms energy: -15.332071 where: bonds (distance) C4'-P energy: -3.285 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -3.840 flat angles P-C4'-P energy: -1.430 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: 4 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -30.010450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.010450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.010450 (E_RNA) where: Base-Base interactions energy: -11.258 where: short stacking energy: -11.258 Base-Backbone interact. energy: -0.000 local terms energy: -18.752247 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -3.811 flat angles C4'-P-C4' energy: -4.253 flat angles P-C4'-P energy: -3.161 tors. eta vs tors. theta energy: -3.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -26.880464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.880464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.880464 (E_RNA) where: Base-Base interactions energy: -7.673 where: short stacking energy: -7.673 Base-Backbone interact. energy: -0.086 local terms energy: -19.120935 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.904 flat angles P-C4'-P energy: -3.815 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: 3, replica: 8 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -30.533142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.533142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.533142 (E_RNA) where: Base-Base interactions energy: -11.651 where: short stacking energy: -11.651 Base-Backbone interact. energy: -0.000 local terms energy: -18.881816 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -2.824 flat angles C4'-P-C4' energy: -4.135 flat angles P-C4'-P energy: -3.350 tors. eta vs tors. theta energy: -4.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -25.633829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.633829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.633829 (E_RNA) where: Base-Base interactions energy: -7.761 where: short stacking energy: -7.761 Base-Backbone interact. energy: 0.712 local terms energy: -18.585266 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.801 flat angles P-C4'-P energy: -2.670 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: 5, replica: 2 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -26.214811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.214811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.214811 (E_RNA) where: Base-Base interactions energy: -8.503 where: short stacking energy: -8.503 Base-Backbone interact. energy: -0.000 local terms energy: -17.711205 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.093 flat angles P-C4'-P energy: -2.985 tors. eta vs tors. theta energy: -3.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -20.268589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.268589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.268589 (E_RNA) where: Base-Base interactions energy: -6.465 where: short stacking energy: -6.465 Base-Backbone interact. energy: -0.001 local terms energy: -13.802962 where: bonds (distance) C4'-P energy: -1.525 bonds (distance) P-C4' energy: -3.811 flat angles C4'-P-C4' energy: -4.059 flat angles P-C4'-P energy: -3.472 tors. eta vs tors. theta energy: -0.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -22.020763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.020763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.020763 (E_RNA) where: Base-Base interactions energy: -7.143 where: short stacking energy: -7.143 Base-Backbone interact. energy: -0.001 local terms energy: -14.876894 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -3.941 flat angles C4'-P-C4' energy: -3.786 flat angles P-C4'-P energy: -3.199 tors. eta vs tors. theta energy: 0.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -22.798420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.798420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.798420 (E_RNA) where: Base-Base interactions energy: -7.829 where: short stacking energy: -7.829 Base-Backbone interact. energy: -0.000 local terms energy: -14.969644 where: bonds (distance) C4'-P energy: -2.759 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.014 flat angles P-C4'-P energy: -2.221 tors. eta vs tors. theta energy: -0.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -22.961104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.961104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.961104 (E_RNA) where: Base-Base interactions energy: -7.476 where: short stacking energy: -7.476 Base-Backbone interact. energy: -0.000 local terms energy: -15.485573 where: bonds (distance) C4'-P energy: -1.464 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.783 flat angles P-C4'-P energy: -3.081 tors. eta vs tors. theta energy: -2.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -23.536544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.536544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.536544 (E_RNA) where: Base-Base interactions energy: -6.429 where: short stacking energy: -6.429 Base-Backbone interact. energy: -0.000 local terms energy: -17.107265 where: bonds (distance) C4'-P energy: -1.108 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.105 flat angles P-C4'-P energy: -2.956 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: 1, replica: 3 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -22.392420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.392420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.392420 (E_RNA) where: Base-Base interactions energy: -4.441 where: short stacking energy: -4.441 Base-Backbone interact. energy: -0.003 local terms energy: -17.947888 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.712 flat angles P-C4'-P energy: -3.382 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: 2, replica: 4 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -25.294832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.294832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.294832 (E_RNA) where: Base-Base interactions energy: -6.770 where: short stacking energy: -6.770 Base-Backbone interact. energy: -0.022 local terms energy: -18.503636 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.536 flat angles P-C4'-P energy: -3.537 tors. eta vs tors. theta energy: -1.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -23.505337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.505337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.505337 (E_RNA) where: Base-Base interactions energy: -7.407 where: short stacking energy: -7.407 Base-Backbone interact. energy: -0.000 local terms energy: -16.098331 where: bonds (distance) C4'-P energy: -2.660 bonds (distance) P-C4' energy: -5.365 flat angles C4'-P-C4' energy: -3.424 flat angles P-C4'-P energy: -1.943 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: 4, replica: 8 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -25.869527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.869527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.869527 (E_RNA) where: Base-Base interactions energy: -6.972 where: short stacking energy: -7.291 Base-Backbone interact. energy: -0.237 local terms energy: -18.660249 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.324 flat angles P-C4'-P energy: -3.035 tors. eta vs tors. theta energy: -2.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -25.831219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.831219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.831219 (E_RNA) where: Base-Base interactions energy: -7.279 where: short stacking energy: -7.279 Base-Backbone interact. energy: -0.000 local terms energy: -18.552150 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.839 flat angles C4'-P-C4' energy: -4.487 flat angles P-C4'-P energy: -3.479 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: 6, replica: 2 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -25.688799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.688799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.688799 (E_RNA) where: Base-Base interactions energy: -7.249 where: short stacking energy: -7.249 Base-Backbone interact. energy: -0.000 local terms energy: -18.439821 where: bonds (distance) C4'-P energy: -3.915 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.974 flat angles P-C4'-P energy: -2.757 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: 7, replica: 1 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -21.254644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.254644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.254644 (E_RNA) where: Base-Base interactions energy: -6.232 where: short stacking energy: -6.232 Base-Backbone interact. energy: -0.000 local terms energy: -15.022746 where: bonds (distance) C4'-P energy: -3.268 bonds (distance) P-C4' energy: -4.184 flat angles C4'-P-C4' energy: -3.000 flat angles P-C4'-P energy: -2.372 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: 8, replica: 10 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -22.732631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.732631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.732631 (E_RNA) where: Base-Base interactions energy: -5.331 where: short stacking energy: -5.331 Base-Backbone interact. energy: -0.000 local terms energy: -17.401875 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -3.873 flat angles P-C4'-P energy: -3.092 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: 9, replica: 7 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -23.123034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.123034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.123034 (E_RNA) where: Base-Base interactions energy: -5.536 where: short stacking energy: -5.536 Base-Backbone interact. energy: -0.002 local terms energy: -17.584808 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.180 flat angles C4'-P-C4' energy: -3.344 flat angles P-C4'-P energy: -3.471 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: 10, replica: 5 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -18.783826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.783826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.783826 (E_RNA) where: Base-Base interactions energy: -4.740 where: short stacking energy: -4.740 Base-Backbone interact. energy: -0.023 local terms energy: -14.021528 where: bonds (distance) C4'-P energy: -3.716 bonds (distance) P-C4' energy: -3.786 flat angles C4'-P-C4' energy: -4.491 flat angles P-C4'-P energy: -2.105 tors. eta vs tors. theta energy: 0.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -27.687881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.687881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.687881 (E_RNA) where: Base-Base interactions energy: -10.702 where: short stacking energy: -10.702 Base-Backbone interact. energy: -0.000 local terms energy: -16.986229 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -3.781 flat angles C4'-P-C4' energy: -3.801 flat angles P-C4'-P energy: -2.512 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: 2, replica: 9 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -29.764919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.764919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.764919 (E_RNA) where: Base-Base interactions energy: -10.332 where: short stacking energy: -10.332 Base-Backbone interact. energy: -0.000 local terms energy: -19.433116 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.207 flat angles P-C4'-P energy: -2.670 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: 3, replica: 4 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -27.283929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.283929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.283929 (E_RNA) where: Base-Base interactions energy: -7.960 where: short stacking energy: -7.960 Base-Backbone interact. energy: -0.000 local terms energy: -19.323823 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.137 flat angles P-C4'-P energy: -3.490 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: 6 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -24.425739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.425739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.425739 (E_RNA) where: Base-Base interactions energy: -6.067 where: short stacking energy: -6.067 Base-Backbone interact. energy: -0.000 local terms energy: -18.359228 where: bonds (distance) C4'-P energy: -4.341 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -4.577 flat angles P-C4'-P energy: -2.737 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: 5, replica: 8 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -23.629871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.629871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.629871 (E_RNA) where: Base-Base interactions energy: -6.580 where: short stacking energy: -6.580 Base-Backbone interact. energy: -0.000 local terms energy: -17.049487 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -3.941 flat angles C4'-P-C4' energy: -3.991 flat angles P-C4'-P energy: -2.734 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: 6, replica: 1 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -24.108232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.108232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.108232 (E_RNA) where: Base-Base interactions energy: -5.137 where: short stacking energy: -5.137 Base-Backbone interact. energy: -0.028 local terms energy: -18.943195 where: bonds (distance) C4'-P energy: -3.380 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.661 flat angles P-C4'-P energy: -3.424 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: 7, replica: 2 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -26.557355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.557355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.557355 (E_RNA) where: Base-Base interactions energy: -9.606 where: short stacking energy: -9.606 Base-Backbone interact. energy: -0.001 local terms energy: -16.950101 where: bonds (distance) C4'-P energy: -0.747 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.274 flat angles P-C4'-P energy: -3.153 tors. eta vs tors. theta energy: -3.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -21.480917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.480917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.480917 (E_RNA) where: Base-Base interactions energy: -5.435 where: short stacking energy: -5.435 Base-Backbone interact. energy: -0.000 local terms energy: -16.045674 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -1.586 flat angles P-C4'-P energy: -2.512 tors. eta vs tors. theta energy: -3.361 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: 10 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -19.138671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.138671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.138671 (E_RNA) where: Base-Base interactions energy: -4.336 where: short stacking energy: -4.336 Base-Backbone interact. energy: -0.102 local terms energy: -14.700450 where: bonds (distance) C4'-P energy: -3.673 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -2.881 flat angles P-C4'-P energy: -2.683 tors. eta vs tors. theta energy: -0.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -25.774808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.774808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.774808 (E_RNA) where: Base-Base interactions energy: -9.924 where: short stacking energy: -9.924 Base-Backbone interact. energy: -0.000 local terms energy: -15.851281 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -3.815 flat angles C4'-P-C4' energy: -3.705 flat angles P-C4'-P energy: -2.361 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: 1, replica: 9 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -26.914953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.914953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.914953 (E_RNA) where: Base-Base interactions energy: -9.042 where: short stacking energy: -9.042 Base-Backbone interact. energy: -0.001 local terms energy: -17.871832 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -2.512 flat angles P-C4'-P energy: -3.088 tors. eta vs tors. theta energy: -2.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -24.835563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.835563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.835563 (E_RNA) where: Base-Base interactions energy: -7.768 where: short stacking energy: -7.768 Base-Backbone interact. energy: -0.177 local terms energy: -16.890094 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -3.296 flat angles C4'-P-C4' energy: -4.138 flat angles P-C4'-P energy: -2.564 tors. eta vs tors. theta energy: -2.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -26.244510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.244510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.244510 (E_RNA) where: Base-Base interactions energy: -7.576 where: short stacking energy: -7.576 Base-Backbone interact. energy: -0.000 local terms energy: -18.668584 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.419 flat angles P-C4'-P energy: -3.326 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: 4 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -23.431796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.431796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.431796 (E_RNA) where: Base-Base interactions energy: -4.452 where: short stacking energy: -4.452 Base-Backbone interact. energy: -0.001 local terms energy: -18.978468 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.300 flat angles P-C4'-P energy: -3.911 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: 1 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -25.969259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.969259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.969259 (E_RNA) where: Base-Base interactions energy: -8.201 where: short stacking energy: -8.201 Base-Backbone interact. energy: -0.000 local terms energy: -17.767813 where: bonds (distance) C4'-P energy: -2.751 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.290 flat angles P-C4'-P energy: -3.748 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: 188 Temperature: 1.150000 Total energy: -28.065907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.065907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.065907 (E_RNA) where: Base-Base interactions energy: -9.515 where: short stacking energy: -9.515 Base-Backbone interact. energy: -0.002 local terms energy: -18.549451 where: bonds (distance) C4'-P energy: -3.397 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.219 flat angles P-C4'-P energy: -3.229 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: 7, replica: 7 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -24.367725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.367725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.367725 (E_RNA) where: Base-Base interactions energy: -7.203 where: short stacking energy: -7.203 Base-Backbone interact. energy: -0.000 local terms energy: -17.164300 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -3.815 flat angles C4'-P-C4' energy: -3.945 flat angles P-C4'-P energy: -2.302 tors. eta vs tors. theta energy: -3.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -22.389003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.389003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.389003 (E_RNA) where: Base-Base interactions energy: -3.990 where: short stacking energy: -3.990 Base-Backbone interact. energy: -0.002 local terms energy: -18.396972 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.780 flat angles P-C4'-P energy: -4.003 tors. eta vs tors. theta energy: -0.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -25.216362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.216362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.216362 (E_RNA) where: Base-Base interactions energy: -6.883 where: short stacking energy: -6.883 Base-Backbone interact. energy: -0.000 local terms energy: -18.333086 where: bonds (distance) C4'-P energy: -1.384 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -4.441 flat angles P-C4'-P energy: -3.038 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: 10, replica: 10 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -18.908572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.908572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.908572 (E_RNA) where: Base-Base interactions energy: -5.097 where: short stacking energy: -5.801 Base-Backbone interact. energy: -1.185 local terms energy: -12.627297 where: bonds (distance) C4'-P energy: -0.602 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.465 flat angles P-C4'-P energy: -2.903 tors. eta vs tors. theta energy: -0.989 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: 9 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -30.692504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.692504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.692504 (E_RNA) where: Base-Base interactions energy: -11.853 where: short stacking energy: -11.853 Base-Backbone interact. energy: -0.001 local terms energy: -18.838420 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -3.590 flat angles P-C4'-P energy: -3.315 tors. eta vs tors. theta energy: -2.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -23.379449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.379449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.379449 (E_RNA) where: Base-Base interactions energy: -4.542 where: short stacking energy: -4.542 Base-Backbone interact. energy: -0.000 local terms energy: -18.837260 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.605 flat angles P-C4'-P energy: -3.500 tors. eta vs tors. theta energy: -2.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -23.838092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.838092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.838092 (E_RNA) where: Base-Base interactions energy: -9.455 where: short stacking energy: -9.455 Base-Backbone interact. energy: -0.000 local terms energy: -14.383552 where: bonds (distance) C4'-P energy: -2.423 bonds (distance) P-C4' energy: -4.149 flat angles C4'-P-C4' energy: -4.489 flat angles P-C4'-P energy: -1.018 tors. eta vs tors. theta energy: -2.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -23.300778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.300778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.300778 (E_RNA) where: Base-Base interactions energy: -6.606 where: short stacking energy: -6.606 Base-Backbone interact. energy: -0.431 local terms energy: -16.263910 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -4.207 flat angles P-C4'-P energy: -2.315 tors. eta vs tors. theta energy: -1.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -24.699812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.699812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.699812 (E_RNA) where: Base-Base interactions energy: -7.981 where: short stacking energy: -7.981 Base-Backbone interact. energy: -0.000 local terms energy: -16.718949 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.956 flat angles P-C4'-P energy: -1.876 tors. eta vs tors. theta energy: -1.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -26.271897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.271897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.271897 (E_RNA) where: Base-Base interactions energy: -8.785 where: short stacking energy: -8.785 Base-Backbone interact. energy: -0.000 local terms energy: -17.487249 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.152 flat angles P-C4'-P energy: -1.150 tors. eta vs tors. theta energy: -2.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -26.326328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.326328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.326328 (E_RNA) where: Base-Base interactions energy: -7.895 where: short stacking energy: -7.895 Base-Backbone interact. energy: -0.008 local terms energy: -18.423155 where: bonds (distance) C4'-P energy: -3.301 bonds (distance) P-C4' energy: -4.336 flat angles C4'-P-C4' energy: -4.780 flat angles P-C4'-P energy: -2.812 tors. eta vs tors. theta energy: -3.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -25.095759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.095759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.095759 (E_RNA) where: Base-Base interactions energy: -7.987 where: short stacking energy: -9.158 Base-Backbone interact. energy: -0.046 local terms energy: -17.062482 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -4.044 flat angles C4'-P-C4' energy: -2.544 flat angles P-C4'-P energy: -4.117 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: 189 Temperature: 1.300000 Total energy: -23.328373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.328373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.328373 (E_RNA) where: Base-Base interactions energy: -6.281 where: short stacking energy: -6.281 Base-Backbone interact. energy: -0.026 local terms energy: -17.021421 where: bonds (distance) C4'-P energy: -2.900 bonds (distance) P-C4' energy: -4.441 flat angles C4'-P-C4' energy: -4.888 flat angles P-C4'-P energy: -3.441 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: 10, replica: 10 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -24.138167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.138167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.138167 (E_RNA) where: Base-Base interactions energy: -7.299 where: short stacking energy: -7.299 Base-Backbone interact. energy: -0.000 local terms energy: -16.838749 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -3.153 flat angles C4'-P-C4' energy: -3.114 flat angles P-C4'-P energy: -2.497 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: 1, replica: 6 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -25.484407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.484407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.484407 (E_RNA) where: Base-Base interactions energy: -7.768 where: short stacking energy: -7.768 Base-Backbone interact. energy: -0.000 local terms energy: -17.716682 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -3.875 flat angles P-C4'-P energy: -2.997 tors. eta vs tors. theta energy: -2.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -27.659012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.659012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.659012 (E_RNA) where: Base-Base interactions energy: -8.708 where: short stacking energy: -8.708 Base-Backbone interact. energy: -0.044 local terms energy: -18.906088 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.867 flat angles C4'-P-C4' energy: -3.253 flat angles P-C4'-P energy: -4.021 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: 3, replica: 1 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -25.753223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.753223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.753223 (E_RNA) where: Base-Base interactions energy: -8.419 where: short stacking energy: -8.419 Base-Backbone interact. energy: -0.000 local terms energy: -17.333812 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.152 flat angles P-C4'-P energy: -2.528 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: 3 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -25.512141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.512141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.512141 (E_RNA) where: Base-Base interactions energy: -6.955 where: short stacking energy: -6.955 Base-Backbone interact. energy: -0.000 local terms energy: -18.556949 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.008 flat angles P-C4'-P energy: -3.929 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: 5, replica: 7 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -20.986543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.986543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.986543 (E_RNA) where: Base-Base interactions energy: -6.968 where: short stacking energy: -6.968 Base-Backbone interact. energy: -0.117 local terms energy: -13.901794 where: bonds (distance) C4'-P energy: -3.185 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.101 flat angles P-C4'-P energy: -1.959 tors. eta vs tors. theta energy: 0.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -21.262095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.262095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.262095 (E_RNA) where: Base-Base interactions energy: -5.960 where: short stacking energy: -5.960 Base-Backbone interact. energy: -0.000 local terms energy: -15.301805 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.124 flat angles P-C4'-P energy: -2.749 tors. eta vs tors. theta energy: -0.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -23.854525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.854525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.854525 (E_RNA) where: Base-Base interactions energy: -8.408 where: short stacking energy: -8.408 Base-Backbone interact. energy: -0.000 local terms energy: -15.446821 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -2.873 flat angles C4'-P-C4' energy: -2.752 flat angles P-C4'-P energy: -1.734 tors. eta vs tors. theta energy: -3.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -18.266658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.266658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.266658 (E_RNA) where: Base-Base interactions energy: -3.163 where: short stacking energy: -3.585 Base-Backbone interact. energy: 0.101 local terms energy: -15.204965 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -3.494 flat angles P-C4'-P energy: -1.758 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: 9, replica: 10 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -20.519558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.519558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.519558 (E_RNA) where: Base-Base interactions energy: -4.162 where: short stacking energy: -4.162 Base-Backbone interact. energy: -0.008 local terms energy: -16.349478 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -4.171 flat angles P-C4'-P energy: -3.318 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: 10, replica: 2 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -22.572414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.572414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.572414 (E_RNA) where: Base-Base interactions energy: -7.072 where: short stacking energy: -7.072 Base-Backbone interact. energy: -0.000 local terms energy: -15.500263 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.559 flat angles P-C4'-P energy: -0.972 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: 6 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -26.455826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.455826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.455826 (E_RNA) where: Base-Base interactions energy: -8.754 where: short stacking energy: -8.754 Base-Backbone interact. energy: -0.000 local terms energy: -17.702009 where: bonds (distance) C4'-P energy: -3.277 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.403 flat angles P-C4'-P energy: -1.672 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: 2, replica: 1 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -30.379320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.379320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.379320 (E_RNA) where: Base-Base interactions energy: -10.996 where: short stacking energy: -10.996 Base-Backbone interact. energy: -0.000 local terms energy: -19.383699 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -4.205 flat angles C4'-P-C4' energy: -3.410 flat angles P-C4'-P energy: -3.681 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: 3, replica: 9 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -24.326752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.326752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.326752 (E_RNA) where: Base-Base interactions energy: -7.846 where: short stacking energy: -7.846 Base-Backbone interact. energy: -0.003 local terms energy: -16.477868 where: bonds (distance) C4'-P energy: -4.535 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -4.817 flat angles P-C4'-P energy: -1.537 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: 4, replica: 7 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -26.486705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.486705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.486705 (E_RNA) where: Base-Base interactions energy: -8.164 where: short stacking energy: -8.657 Base-Backbone interact. energy: -0.000 local terms energy: -18.322670 where: bonds (distance) C4'-P energy: -4.233 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.555 flat angles P-C4'-P energy: -2.481 tors. eta vs tors. theta energy: -2.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -27.832120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.832120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.832120 (E_RNA) where: Base-Base interactions energy: -10.446 where: short stacking energy: -10.572 Base-Backbone interact. energy: -0.000 local terms energy: -17.386210 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -3.755 flat angles C4'-P-C4' energy: -4.383 flat angles P-C4'-P energy: -2.738 tors. eta vs tors. theta energy: -2.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -22.268835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.268835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.268835 (E_RNA) where: Base-Base interactions energy: -3.907 where: short stacking energy: -3.907 Base-Backbone interact. energy: -0.000 local terms energy: -18.361402 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.678 flat angles P-C4'-P energy: -3.056 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: 191 Temperature: 1.200000 Total energy: -22.790386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.790386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.790386 (E_RNA) where: Base-Base interactions energy: -4.498 where: short stacking energy: -4.498 Base-Backbone interact. energy: -0.001 local terms energy: -18.291991 where: bonds (distance) C4'-P energy: -3.889 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.928 flat angles P-C4'-P energy: -3.271 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: 10 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -24.980094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.980094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.980094 (E_RNA) where: Base-Base interactions energy: -7.406 where: short stacking energy: -7.406 Base-Backbone interact. energy: -0.003 local terms energy: -17.571294 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.413 flat angles P-C4'-P energy: -2.619 tors. eta vs tors. theta energy: -1.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -22.070933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.070933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.070933 (E_RNA) where: Base-Base interactions energy: -5.806 where: short stacking energy: -5.806 Base-Backbone interact. energy: -0.002 local terms energy: -16.262972 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -3.321 flat angles C4'-P-C4' energy: -4.199 flat angles P-C4'-P energy: -3.423 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: 2 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -20.508900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.508900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.508900 (E_RNA) where: Base-Base interactions energy: -5.117 where: short stacking energy: -5.117 Base-Backbone interact. energy: -0.000 local terms energy: -15.391932 where: bonds (distance) C4'-P energy: -3.708 bonds (distance) P-C4' energy: -3.919 flat angles C4'-P-C4' energy: -3.096 flat angles P-C4'-P energy: -2.986 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: 1, replica: 1 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -27.691697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.691697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.691697 (E_RNA) where: Base-Base interactions energy: -10.402 where: short stacking energy: -10.402 Base-Backbone interact. energy: -0.000 local terms energy: -17.289635 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.360 flat angles P-C4'-P energy: -2.603 tors. eta vs tors. theta energy: -1.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -28.429272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.429272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.429272 (E_RNA) where: Base-Base interactions energy: -7.380 where: short stacking energy: -7.380 Base-Backbone interact. energy: -0.000 local terms energy: -21.048810 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.820 flat angles P-C4'-P energy: -3.151 tors. eta vs tors. theta energy: -3.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -24.085349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.085349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.085349 (E_RNA) where: Base-Base interactions energy: -7.472 where: short stacking energy: -7.472 Base-Backbone interact. energy: -0.306 local terms energy: -16.307621 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.875 flat angles P-C4'-P energy: -3.207 tors. eta vs tors. theta energy: 0.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -27.620725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.620725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.620725 (E_RNA) where: Base-Base interactions energy: -8.602 where: short stacking energy: -8.602 Base-Backbone interact. energy: -0.000 local terms energy: -19.018483 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.128 flat angles C4'-P-C4' energy: -4.131 flat angles P-C4'-P energy: -0.998 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: 5, replica: 5 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -27.765213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.765213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.765213 (E_RNA) where: Base-Base interactions energy: -8.362 where: short stacking energy: -8.362 Base-Backbone interact. energy: -0.000 local terms energy: -19.403446 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.044 flat angles P-C4'-P energy: -3.306 tors. eta vs tors. theta energy: -2.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -24.778514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.778514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.778514 (E_RNA) where: Base-Base interactions energy: -6.239 where: short stacking energy: -6.239 Base-Backbone interact. energy: -0.000 local terms energy: -18.539642 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.905 flat angles P-C4'-P energy: -1.540 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: 7, replica: 10 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -25.636038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.636038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.636038 (E_RNA) where: Base-Base interactions energy: -7.088 where: short stacking energy: -7.289 Base-Backbone interact. energy: -0.001 local terms energy: -18.547673 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.337 flat angles P-C4'-P energy: -3.965 tors. eta vs tors. theta energy: -0.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -24.307473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.307473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.307473 (E_RNA) where: Base-Base interactions energy: -6.957 where: short stacking energy: -6.957 Base-Backbone interact. energy: -0.021 local terms energy: -17.329022 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -3.364 flat angles C4'-P-C4' energy: -3.537 flat angles P-C4'-P energy: -2.817 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: 9, replica: 2 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -18.808776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.808776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.808776 (E_RNA) where: Base-Base interactions energy: -4.564 where: short stacking energy: -4.564 Base-Backbone interact. energy: -0.002 local terms energy: -14.242398 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -3.811 flat angles C4'-P-C4' energy: -2.956 flat angles P-C4'-P energy: -3.357 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: 10, replica: 8 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -20.827652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.827652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.827652 (E_RNA) where: Base-Base interactions energy: -5.648 where: short stacking energy: -5.648 Base-Backbone interact. energy: -0.000 local terms energy: -15.179809 where: bonds (distance) C4'-P energy: -3.595 bonds (distance) P-C4' energy: -4.579 flat angles C4'-P-C4' energy: -3.764 flat angles P-C4'-P energy: -2.872 tors. eta vs tors. theta energy: -0.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -28.370585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.370585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.370585 (E_RNA) where: Base-Base interactions energy: -8.561 where: short stacking energy: -8.561 Base-Backbone interact. energy: -0.059 local terms energy: -19.750762 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -3.981 flat angles C4'-P-C4' energy: -3.921 flat angles P-C4'-P energy: -3.851 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: 2, replica: 6 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -25.358986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.358986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.358986 (E_RNA) where: Base-Base interactions energy: -6.869 where: short stacking energy: -6.869 Base-Backbone interact. energy: -0.006 local terms energy: -18.484029 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.038 flat angles P-C4'-P energy: -3.291 tors. eta vs tors. theta energy: -2.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -25.159191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.159191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.159191 (E_RNA) where: Base-Base interactions energy: -9.965 where: short stacking energy: -9.965 Base-Backbone interact. energy: -0.000 local terms energy: -15.194332 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -4.839 flat angles P-C4'-P energy: -1.890 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: 4, replica: 5 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -25.403676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.403676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.403676 (E_RNA) where: Base-Base interactions energy: -9.265 where: short stacking energy: -9.265 Base-Backbone interact. energy: -0.074 local terms energy: -16.065071 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -3.969 flat angles C4'-P-C4' energy: -4.103 flat angles P-C4'-P energy: -2.406 tors. eta vs tors. theta energy: -1.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -26.861112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.861112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.861112 (E_RNA) where: Base-Base interactions energy: -11.080 where: short stacking energy: -11.080 Base-Backbone interact. energy: -0.002 local terms energy: -15.779522 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.889 flat angles C4'-P-C4' energy: -3.869 flat angles P-C4'-P energy: -2.482 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: 3 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -23.514226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.514226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.514226 (E_RNA) where: Base-Base interactions energy: -8.073 where: short stacking energy: -8.073 Base-Backbone interact. energy: -0.000 local terms energy: -15.441621 where: bonds (distance) C4'-P energy: -2.387 bonds (distance) P-C4' energy: -3.916 flat angles C4'-P-C4' energy: -4.187 flat angles P-C4'-P energy: 0.042 tors. eta vs tors. theta energy: -4.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -21.207748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.207748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.207748 (E_RNA) where: Base-Base interactions energy: -6.369 where: short stacking energy: -6.369 Base-Backbone interact. energy: -0.000 local terms energy: -14.838624 where: bonds (distance) C4'-P energy: -1.534 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.143 flat angles P-C4'-P energy: -3.645 tors. eta vs tors. theta energy: -0.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -23.882547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.882547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.882547 (E_RNA) where: Base-Base interactions energy: -4.952 where: short stacking energy: -4.952 Base-Backbone interact. energy: -0.000 local terms energy: -18.930587 where: bonds (distance) C4'-P energy: -2.859 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.011 flat angles P-C4'-P energy: -2.986 tors. eta vs tors. theta energy: -3.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -20.569257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.569257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.569257 (E_RNA) where: Base-Base interactions energy: -3.772 where: short stacking energy: -3.772 Base-Backbone interact. energy: -0.005 local terms energy: -16.791429 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -3.709 flat angles P-C4'-P energy: -3.442 tors. eta vs tors. theta energy: -1.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -22.760274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.760274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.760274 (E_RNA) where: Base-Base interactions energy: -6.260 where: short stacking energy: -6.260 Base-Backbone interact. energy: -0.000 local terms energy: -16.500587 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.693 flat angles P-C4'-P energy: -0.437 tors. eta vs tors. theta energy: -2.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -25.849891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.849891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.849891 (E_RNA) where: Base-Base interactions energy: -7.967 where: short stacking energy: -7.967 Base-Backbone interact. energy: -0.099 local terms energy: -17.783750 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.364 flat angles P-C4'-P energy: -1.608 tors. eta vs tors. theta energy: -3.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -25.168533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.168533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.168533 (E_RNA) where: Base-Base interactions energy: -7.313 where: short stacking energy: -7.313 Base-Backbone interact. energy: -0.017 local terms energy: -17.839029 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.042 flat angles P-C4'-P energy: -3.424 tors. eta vs tors. theta energy: -1.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -24.852848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.852848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.852848 (E_RNA) where: Base-Base interactions energy: -7.828 where: short stacking energy: -7.828 Base-Backbone interact. energy: -0.000 local terms energy: -17.024840 where: bonds (distance) C4'-P energy: -2.138 bonds (distance) P-C4' energy: -4.370 flat angles C4'-P-C4' energy: -4.365 flat angles P-C4'-P energy: -3.460 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: 7 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -24.640516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.640516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.640516 (E_RNA) where: Base-Base interactions energy: -7.212 where: short stacking energy: -7.212 Base-Backbone interact. energy: -0.000 local terms energy: -17.428273 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -2.270 flat angles P-C4'-P energy: -2.752 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: 5, replica: 9 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -26.909080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.909080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.909080 (E_RNA) where: Base-Base interactions energy: -8.120 where: short stacking energy: -8.120 Base-Backbone interact. energy: -0.000 local terms energy: -18.788864 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.095 flat angles P-C4'-P energy: -3.413 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: 6, replica: 3 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -24.123715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.123715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.123715 (E_RNA) where: Base-Base interactions energy: -7.788 where: short stacking energy: -7.788 Base-Backbone interact. energy: -0.000 local terms energy: -16.335409 where: bonds (distance) C4'-P energy: -3.451 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.170 flat angles P-C4'-P energy: -2.239 tors. eta vs tors. theta energy: -1.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -29.688442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.688442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.688442 (E_RNA) where: Base-Base interactions energy: -11.106 where: short stacking energy: -11.106 Base-Backbone interact. energy: -0.000 local terms energy: -18.582769 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -3.420 flat angles P-C4'-P energy: -3.081 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: 8, replica: 10 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -23.380790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.380790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.380790 (E_RNA) where: Base-Base interactions energy: -7.098 where: short stacking energy: -7.098 Base-Backbone interact. energy: -0.001 local terms energy: -16.281820 where: bonds (distance) C4'-P energy: -2.859 bonds (distance) P-C4' energy: -3.984 flat angles C4'-P-C4' energy: -3.316 flat angles P-C4'-P energy: -2.418 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: 9, replica: 8 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -22.777181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.777181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.777181 (E_RNA) where: Base-Base interactions energy: -7.889 where: short stacking energy: -7.614 Base-Backbone interact. energy: -0.002 local terms energy: -14.886468 where: bonds (distance) C4'-P energy: -2.387 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.133 flat angles P-C4'-P energy: -3.085 tors. eta vs tors. theta energy: -0.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -20.592934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.592934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.592934 (E_RNA) where: Base-Base interactions energy: -5.625 where: short stacking energy: -5.625 Base-Backbone interact. energy: -0.063 local terms energy: -14.905189 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -4.211 flat angles P-C4'-P energy: -2.356 tors. eta vs tors. theta energy: 0.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -26.577172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.577172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.577172 (E_RNA) where: Base-Base interactions energy: -10.825 where: short stacking energy: -10.825 Base-Backbone interact. energy: -0.000 local terms energy: -15.752066 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -2.568 flat angles P-C4'-P energy: -3.704 tors. eta vs tors. theta energy: -1.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -25.945547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.945547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.945547 (E_RNA) where: Base-Base interactions energy: -7.923 where: short stacking energy: -7.923 Base-Backbone interact. energy: -0.000 local terms energy: -18.022632 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -3.374 flat angles P-C4'-P energy: -3.359 tors. eta vs tors. theta energy: -1.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -27.676015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.676015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.676015 (E_RNA) where: Base-Base interactions energy: -11.394 where: short stacking energy: -11.394 Base-Backbone interact. energy: -0.000 local terms energy: -16.281909 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -3.261 flat angles C4'-P-C4' energy: -4.382 flat angles P-C4'-P energy: -2.545 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: 195 Temperature: 1.050000 Total energy: -26.994625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.994625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.994625 (E_RNA) where: Base-Base interactions energy: -8.001 where: short stacking energy: -8.001 Base-Backbone interact. energy: -0.000 local terms energy: -18.993153 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -4.575 flat angles C4'-P-C4' energy: -4.237 flat angles P-C4'-P energy: -3.189 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: 5, replica: 7 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -22.403675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.403675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.403675 (E_RNA) where: Base-Base interactions energy: -8.085 where: short stacking energy: -8.085 Base-Backbone interact. energy: -0.006 local terms energy: -14.312026 where: bonds (distance) C4'-P energy: -2.751 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.608 flat angles P-C4'-P energy: -2.804 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: 6, replica: 2 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -21.845360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.845360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.845360 (E_RNA) where: Base-Base interactions energy: -7.842 where: short stacking energy: -7.842 Base-Backbone interact. energy: -0.046 local terms energy: -13.956705 where: bonds (distance) C4'-P energy: -2.804 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.757 flat angles P-C4'-P energy: -2.806 tors. eta vs tors. theta energy: 0.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -25.892396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.892396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.892396 (E_RNA) where: Base-Base interactions energy: -7.872 where: short stacking energy: -7.872 Base-Backbone interact. energy: -0.000 local terms energy: -18.020672 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -3.103 flat angles C4'-P-C4' energy: -3.762 flat angles P-C4'-P energy: -4.051 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: 8, replica: 8 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -23.877999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.877999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.877999 (E_RNA) where: Base-Base interactions energy: -7.697 where: short stacking energy: -7.697 Base-Backbone interact. energy: -0.000 local terms energy: -16.180623 where: bonds (distance) C4'-P energy: -2.564 bonds (distance) P-C4' energy: -3.786 flat angles C4'-P-C4' energy: -3.829 flat angles P-C4'-P energy: -3.862 tors. eta vs tors. theta energy: -2.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -22.967861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.967861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.967861 (E_RNA) where: Base-Base interactions energy: -7.861 where: short stacking energy: -7.861 Base-Backbone interact. energy: -0.000 local terms energy: -15.106797 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -3.818 flat angles C4'-P-C4' energy: -2.794 flat angles P-C4'-P energy: -0.266 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: 10, replica: 4 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -23.129943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.129943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.129943 (E_RNA) where: Base-Base interactions energy: -8.088 where: short stacking energy: -8.088 Base-Backbone interact. energy: -0.072 local terms energy: -14.970140 where: bonds (distance) C4'-P energy: -2.564 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -2.351 flat angles P-C4'-P energy: -3.503 tors. eta vs tors. theta energy: -1.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -30.476378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.476378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.476378 (E_RNA) where: Base-Base interactions energy: -10.205 where: short stacking energy: -10.205 Base-Backbone interact. energy: -0.000 local terms energy: -20.271052 where: bonds (distance) C4'-P energy: -4.448 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.146 flat angles P-C4'-P energy: -2.254 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: 6 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -27.321765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.321765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.321765 (E_RNA) where: Base-Base interactions energy: -10.533 where: short stacking energy: -10.533 Base-Backbone interact. energy: -0.010 local terms energy: -16.778903 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.395 flat angles C4'-P-C4' energy: -3.362 flat angles P-C4'-P energy: -1.670 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: 3, replica: 9 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -24.905161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.905161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.905161 (E_RNA) where: Base-Base interactions energy: -6.387 where: short stacking energy: -6.387 Base-Backbone interact. energy: -0.000 local terms energy: -18.518506 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.623 flat angles P-C4'-P energy: -2.926 tors. eta vs tors. theta energy: -1.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -23.994238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.994238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.994238 (E_RNA) where: Base-Base interactions energy: -7.662 where: short stacking energy: -7.662 Base-Backbone interact. energy: -0.000 local terms energy: -16.332210 where: bonds (distance) C4'-P energy: -2.059 bonds (distance) P-C4' energy: -3.324 flat angles C4'-P-C4' energy: -3.797 flat angles P-C4'-P energy: -3.350 tors. eta vs tors. theta energy: -3.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -23.593068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.593068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.593068 (E_RNA) where: Base-Base interactions energy: -6.746 where: short stacking energy: -6.746 Base-Backbone interact. energy: -0.003 local terms energy: -16.844159 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -3.861 flat angles P-C4'-P energy: -3.730 tors. eta vs tors. theta energy: -0.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -22.682621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.682621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.682621 (E_RNA) where: Base-Base interactions energy: -6.474 where: short stacking energy: -6.474 Base-Backbone interact. energy: -0.000 local terms energy: -16.208247 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.720 flat angles P-C4'-P energy: -2.733 tors. eta vs tors. theta energy: -0.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -23.432848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.432848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.432848 (E_RNA) where: Base-Base interactions energy: -7.469 where: short stacking energy: -7.469 Base-Backbone interact. energy: -0.000 local terms energy: -15.964292 where: bonds (distance) C4'-P energy: -2.900 bonds (distance) P-C4' energy: -3.751 flat angles C4'-P-C4' energy: -3.345 flat angles P-C4'-P energy: -2.503 tors. eta vs tors. theta energy: -3.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -23.605750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.605750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.605750 (E_RNA) where: Base-Base interactions energy: -6.592 where: short stacking energy: -6.592 Base-Backbone interact. energy: -0.000 local terms energy: -17.013849 where: bonds (distance) C4'-P energy: -2.838 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.604 flat angles P-C4'-P energy: -2.769 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: 9, replica: 4 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -23.036713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.036713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.036713 (E_RNA) where: Base-Base interactions energy: -7.198 where: short stacking energy: -7.198 Base-Backbone interact. energy: -0.043 local terms energy: -15.795348 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -2.606 flat angles C4'-P-C4' energy: -4.201 flat angles P-C4'-P energy: -3.472 tors. eta vs tors. theta energy: -1.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -21.543834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.543834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.543834 (E_RNA) where: Base-Base interactions energy: -4.992 where: short stacking energy: -4.992 Base-Backbone interact. energy: -0.001 local terms energy: -16.551355 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.707 flat angles P-C4'-P energy: -2.973 tors. eta vs tors. theta energy: -0.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -25.089023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.089023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.089023 (E_RNA) where: Base-Base interactions energy: -7.694 where: short stacking energy: -7.694 Base-Backbone interact. energy: -0.625 local terms energy: -16.769907 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.573 flat angles P-C4'-P energy: -2.121 tors. eta vs tors. theta energy: -0.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -26.402901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.402901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.402901 (E_RNA) where: Base-Base interactions energy: -8.979 where: short stacking energy: -8.979 Base-Backbone interact. energy: -0.000 local terms energy: -17.423449 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -3.495 flat angles P-C4'-P energy: -3.123 tors. eta vs tors. theta energy: -2.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -26.372839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.372839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.372839 (E_RNA) where: Base-Base interactions energy: -10.389 where: short stacking energy: -10.389 Base-Backbone interact. energy: -0.980 local terms energy: -15.003659 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -2.388 flat angles C4'-P-C4' energy: -3.749 flat angles P-C4'-P energy: -3.460 tors. eta vs tors. theta energy: -1.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -24.256282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.256282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.256282 (E_RNA) where: Base-Base interactions energy: -6.702 where: short stacking energy: -6.702 Base-Backbone interact. energy: -0.000 local terms energy: -17.554017 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -3.793 flat angles C4'-P-C4' energy: -4.379 flat angles P-C4'-P energy: -2.568 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: 5, replica: 1 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -21.622675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.622675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.622675 (E_RNA) where: Base-Base interactions energy: -4.681 where: short stacking energy: -4.681 Base-Backbone interact. energy: -0.010 local terms energy: -16.931935 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -3.919 flat angles P-C4'-P energy: -3.271 tors. eta vs tors. theta energy: -0.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -25.331736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.331736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.331736 (E_RNA) where: Base-Base interactions energy: -8.361 where: short stacking energy: -8.361 Base-Backbone interact. energy: -0.360 local terms energy: -16.610108 where: bonds (distance) C4'-P energy: -3.301 bonds (distance) P-C4' energy: -3.790 flat angles C4'-P-C4' energy: -4.395 flat angles P-C4'-P energy: -4.006 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: 7, replica: 7 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -24.712803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.712803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.712803 (E_RNA) where: Base-Base interactions energy: -7.685 where: short stacking energy: -7.685 Base-Backbone interact. energy: -0.090 local terms energy: -16.937499 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -1.976 flat angles P-C4'-P energy: -2.831 tors. eta vs tors. theta energy: -3.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -21.819860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.819860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.819860 (E_RNA) where: Base-Base interactions energy: -5.284 where: short stacking energy: -5.284 Base-Backbone interact. energy: -0.000 local terms energy: -16.535460 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -2.429 flat angles P-C4'-P energy: -3.168 tors. eta vs tors. theta energy: -1.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -19.726870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.726870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.726870 (E_RNA) where: Base-Base interactions energy: -4.597 where: short stacking energy: -4.597 Base-Backbone interact. energy: -0.026 local terms energy: -15.104477 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.148 flat angles P-C4'-P energy: -2.204 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: 10 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -23.586416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.586416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.586416 (E_RNA) where: Base-Base interactions energy: -7.345 where: short stacking energy: -7.345 Base-Backbone interact. energy: -0.000 local terms energy: -16.241017 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -2.772 flat angles P-C4'-P energy: -2.940 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: 1, replica: 6 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -24.314908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.314908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.314908 (E_RNA) where: Base-Base interactions energy: -8.670 where: short stacking energy: -8.670 Base-Backbone interact. energy: -0.040 local terms energy: -15.605375 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.009 flat angles P-C4'-P energy: -2.875 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: 2, replica: 5 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -26.276831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.276831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.276831 (E_RNA) where: Base-Base interactions energy: -7.277 where: short stacking energy: -7.277 Base-Backbone interact. energy: -0.000 local terms energy: -18.999665 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.133 flat angles P-C4'-P energy: -3.880 tors. eta vs tors. theta energy: -1.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -25.685690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.685690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.685690 (E_RNA) where: Base-Base interactions energy: -6.921 where: short stacking energy: -6.921 Base-Backbone interact. energy: -0.000 local terms energy: -18.764884 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -3.786 flat angles C4'-P-C4' energy: -4.015 flat angles P-C4'-P energy: -3.892 tors. eta vs tors. theta energy: -2.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -25.102637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.102637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.102637 (E_RNA) where: Base-Base interactions energy: -7.117 where: short stacking energy: -7.117 Base-Backbone interact. energy: -0.002 local terms energy: -17.983715 where: bonds (distance) C4'-P energy: -3.673 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.407 flat angles P-C4'-P energy: -3.636 tors. eta vs tors. theta energy: -1.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -25.001945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.001945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.001945 (E_RNA) where: Base-Base interactions energy: -7.576 where: short stacking energy: -7.576 Base-Backbone interact. energy: -0.000 local terms energy: -17.425883 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.119 flat angles P-C4'-P energy: -2.689 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: 1 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -22.191762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.191762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.191762 (E_RNA) where: Base-Base interactions energy: -2.971 where: short stacking energy: -3.001 Base-Backbone interact. energy: -0.000 local terms energy: -19.220606 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.085 flat angles P-C4'-P energy: -3.906 tors. eta vs tors. theta energy: -2.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -21.353573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.353573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.353573 (E_RNA) where: Base-Base interactions energy: -3.447 where: short stacking energy: -3.447 Base-Backbone interact. energy: -0.020 local terms energy: -17.886176 where: bonds (distance) C4'-P energy: -4.448 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.188 flat angles P-C4'-P energy: -2.657 tors. eta vs tors. theta energy: -1.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -20.160355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.160355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.160355 (E_RNA) where: Base-Base interactions energy: -4.352 where: short stacking energy: -4.352 Base-Backbone interact. energy: -0.154 local terms energy: -15.654022 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -2.926 flat angles P-C4'-P energy: -1.675 tors. eta vs tors. theta energy: -1.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -20.192923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.192923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.192923 (E_RNA) where: Base-Base interactions energy: -6.439 where: short stacking energy: -6.439 Base-Backbone interact. energy: -0.002 local terms energy: -13.751601 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -2.115 flat angles P-C4'-P energy: -2.386 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: 4 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -19.438366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.438366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.438366 (E_RNA) where: Base-Base interactions energy: -4.883 where: short stacking energy: -4.883 Base-Backbone interact. energy: -0.000 local terms energy: -14.555429 where: bonds (distance) C4'-P energy: -3.264 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -2.557 flat angles P-C4'-P energy: -1.938 tors. eta vs tors. theta energy: -1.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -28.851671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.851671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.851671 (E_RNA) where: Base-Base interactions energy: -11.803 where: short stacking energy: -11.803 Base-Backbone interact. energy: -0.001 local terms energy: -17.047856 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -1.821 flat angles P-C4'-P energy: -2.356 tors. eta vs tors. theta energy: -3.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -25.700149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.700149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.700149 (E_RNA) where: Base-Base interactions energy: -7.484 where: short stacking energy: -7.484 Base-Backbone interact. energy: -0.101 local terms energy: -18.115587 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.331 flat angles P-C4'-P energy: -2.208 tors. eta vs tors. theta energy: -2.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -25.448599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.448599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.448599 (E_RNA) where: Base-Base interactions energy: -8.065 where: short stacking energy: -8.065 Base-Backbone interact. energy: -0.000 local terms energy: -17.383776 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.780 flat angles P-C4'-P energy: -2.131 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: 4, replica: 8 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -24.795828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.795828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.795828 (E_RNA) where: Base-Base interactions energy: -9.046 where: short stacking energy: -9.046 Base-Backbone interact. energy: -0.005 local terms energy: -15.745032 where: bonds (distance) C4'-P energy: -3.459 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.485 flat angles P-C4'-P energy: -0.719 tors. eta vs tors. theta energy: -1.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -24.174890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.174890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.174890 (E_RNA) where: Base-Base interactions energy: -10.205 where: short stacking energy: -10.205 Base-Backbone interact. energy: -0.000 local terms energy: -13.970066 where: bonds (distance) C4'-P energy: -2.689 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -0.926 flat angles P-C4'-P energy: -3.038 tors. eta vs tors. theta energy: -2.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -23.718361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.718361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.718361 (E_RNA) where: Base-Base interactions energy: -5.489 where: short stacking energy: -5.489 Base-Backbone interact. energy: -0.050 local terms energy: -18.179445 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -3.096 flat angles C4'-P-C4' energy: -3.889 flat angles P-C4'-P energy: -4.135 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: 7, replica: 1 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -19.921940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.921940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.921940 (E_RNA) where: Base-Base interactions energy: -3.628 where: short stacking energy: -3.628 Base-Backbone interact. energy: -0.006 local terms energy: -16.288183 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.922 flat angles P-C4'-P energy: -3.682 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: 199 Temperature: 1.250000 Total energy: -26.644403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.644403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.644403 (E_RNA) where: Base-Base interactions energy: -7.408 where: short stacking energy: -7.408 Base-Backbone interact. energy: -0.000 local terms energy: -19.236237 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.574 flat angles P-C4'-P energy: -3.403 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: 9, replica: 10 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -22.571801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.571801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.571801 (E_RNA) where: Base-Base interactions energy: -6.804 where: short stacking energy: -6.804 Base-Backbone interact. energy: -0.001 local terms energy: -15.766768 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -3.646 flat angles P-C4'-P energy: -2.442 tors. eta vs tors. theta energy: -1.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -19.343763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.343763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.343763 (E_RNA) where: Base-Base interactions energy: -3.520 where: short stacking energy: -3.520 Base-Backbone interact. energy: -0.000 local terms energy: -15.823096 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -3.856 flat angles P-C4'-P energy: -3.016 tors. eta vs tors. theta energy: 0.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -26.617163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.617163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.617163 (E_RNA) where: Base-Base interactions energy: -7.881 where: short stacking energy: -7.881 Base-Backbone interact. energy: -0.000 local terms energy: -18.736247 where: bonds (distance) C4'-P energy: -2.892 bonds (distance) P-C4' energy: -3.790 flat angles C4'-P-C4' energy: -2.555 flat angles P-C4'-P energy: -4.071 tors. eta vs tors. theta energy: -5.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -31.302945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.302945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.302945 (E_RNA) where: Base-Base interactions energy: -9.508 where: short stacking energy: -9.508 Base-Backbone interact. energy: -0.000 local terms energy: -21.795222 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.486 flat angles P-C4'-P energy: -2.854 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: 3, replica: 8 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -23.758733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.758733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.758733 (E_RNA) where: Base-Base interactions energy: -9.735 where: short stacking energy: -9.735 Base-Backbone interact. energy: -0.000 local terms energy: -14.024067 where: bonds (distance) C4'-P energy: -3.040 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -2.540 flat angles P-C4'-P energy: -1.726 tors. eta vs tors. theta energy: -1.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -27.120837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.120837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.120837 (E_RNA) where: Base-Base interactions energy: -7.501 where: short stacking energy: -7.501 Base-Backbone interact. energy: -0.000 local terms energy: -19.620028 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -3.128 flat angles C4'-P-C4' energy: -4.097 flat angles P-C4'-P energy: -3.167 tors. eta vs tors. theta energy: -4.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -25.790933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.790933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.790933 (E_RNA) where: Base-Base interactions energy: -7.062 where: short stacking energy: -7.062 Base-Backbone interact. energy: -0.000 local terms energy: -18.728731 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.089 flat angles P-C4'-P energy: -2.110 tors. eta vs tors. theta energy: -3.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -24.848760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.848760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.848760 (E_RNA) where: Base-Base interactions energy: -8.100 where: short stacking energy: -8.100 Base-Backbone interact. energy: -0.000 local terms energy: -16.748739 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -4.525 flat angles P-C4'-P energy: -2.092 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: 7 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -29.900525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.900525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.900525 (E_RNA) where: Base-Base interactions energy: -10.071 where: short stacking energy: -10.071 Base-Backbone interact. energy: -0.000 local terms energy: -19.829841 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -4.702 flat angles P-C4'-P energy: -2.041 tors. eta vs tors. theta energy: -4.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -20.133835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.133835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.133835 (E_RNA) where: Base-Base interactions energy: -4.463 where: short stacking energy: -4.463 Base-Backbone interact. energy: -0.002 local terms energy: -15.668773 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -3.790 flat angles C4'-P-C4' energy: -4.364 flat angles P-C4'-P energy: -3.205 tors. eta vs tors. theta energy: -0.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -22.448468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.448468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.448468 (E_RNA) where: Base-Base interactions energy: -7.346 where: short stacking energy: -7.346 Base-Backbone interact. energy: 0.873 local terms energy: -15.975229 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.575 flat angles C4'-P-C4' energy: -4.521 flat angles P-C4'-P energy: -2.717 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: 10 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -20.945767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.945767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.945767 (E_RNA) where: Base-Base interactions energy: -3.868 where: short stacking energy: -3.868 Base-Backbone interact. energy: -0.000 local terms energy: -17.077792 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -2.728 flat angles P-C4'-P energy: -2.253 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: 1, replica: 2 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -27.247801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.247801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.247801 (E_RNA) where: Base-Base interactions energy: -11.319 where: short stacking energy: -11.319 Base-Backbone interact. energy: -0.000 local terms energy: -15.928614 where: bonds (distance) C4'-P energy: -1.774 bonds (distance) P-C4' energy: -3.548 flat angles C4'-P-C4' energy: -4.395 flat angles P-C4'-P energy: -2.887 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: 8 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -24.029675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.029675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.029675 (E_RNA) where: Base-Base interactions energy: -8.173 where: short stacking energy: -8.173 Base-Backbone interact. energy: -0.000 local terms energy: -15.856479 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -4.339 flat angles C4'-P-C4' energy: -4.856 flat angles P-C4'-P energy: -1.398 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: 3, replica: 6 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -20.924326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.924326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.924326 (E_RNA) where: Base-Base interactions energy: -3.442 where: short stacking energy: -3.442 Base-Backbone interact. energy: -0.000 local terms energy: -17.482684 where: bonds (distance) C4'-P energy: -3.683 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.466 flat angles P-C4'-P energy: -2.493 tors. eta vs tors. theta energy: -1.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -27.734983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.734983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.734983 (E_RNA) where: Base-Base interactions energy: -10.634 where: short stacking energy: -10.634 Base-Backbone interact. energy: -0.000 local terms energy: -17.100601 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.256 flat angles P-C4'-P energy: -0.848 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: 5, replica: 5 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -22.467127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.467127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.467127 (E_RNA) where: Base-Base interactions energy: -4.322 where: short stacking energy: -4.322 Base-Backbone interact. energy: -0.007 local terms energy: -18.138379 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.207 flat angles P-C4'-P energy: -3.601 tors. eta vs tors. theta energy: -1.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -23.195893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.195893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.195893 (E_RNA) where: Base-Base interactions energy: -7.259 where: short stacking energy: -7.259 Base-Backbone interact. energy: -0.005 local terms energy: -15.931850 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.480 flat angles P-C4'-P energy: -2.199 tors. eta vs tors. theta energy: -1.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -21.235880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.235880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.235880 (E_RNA) where: Base-Base interactions energy: -7.477 where: short stacking energy: -7.477 Base-Backbone interact. energy: -0.009 local terms energy: -13.750701 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.491 flat angles P-C4'-P energy: 0.261 tors. eta vs tors. theta energy: -1.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -22.449482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.449482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.449482 (E_RNA) where: Base-Base interactions energy: -7.499 where: short stacking energy: -7.499 Base-Backbone interact. energy: -0.104 local terms energy: -14.846279 where: bonds (distance) C4'-P energy: -4.009 bonds (distance) P-C4' energy: -3.981 flat angles C4'-P-C4' energy: -4.434 flat angles P-C4'-P energy: -2.725 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: 9, replica: 1 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -21.374085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.374085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.374085 (E_RNA) where: Base-Base interactions energy: -6.859 where: short stacking energy: -6.859 Base-Backbone interact. energy: -0.005 local terms energy: -14.509658 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -2.763 flat angles P-C4'-P energy: -1.639 tors. eta vs tors. theta energy: -1.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -25.352025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.352025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.352025 (E_RNA) where: Base-Base interactions energy: -6.064 where: short stacking energy: -6.064 Base-Backbone interact. energy: -0.000 local terms energy: -19.287665 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -2.964 flat angles P-C4'-P energy: -3.277 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: 1, replica: 8 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -26.997341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.997341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.997341 (E_RNA) where: Base-Base interactions energy: -7.995 where: short stacking energy: -7.995 Base-Backbone interact. energy: -0.000 local terms energy: -19.002053 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.325 flat angles P-C4'-P energy: -2.904 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: 2 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -25.803327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.803327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.803327 (E_RNA) where: Base-Base interactions energy: -9.993 where: short stacking energy: -9.993 Base-Backbone interact. energy: -0.031 local terms energy: -15.779488 where: bonds (distance) C4'-P energy: -2.581 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -3.931 flat angles P-C4'-P energy: -3.338 tors. eta vs tors. theta energy: -1.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -23.843746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.843746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.843746 (E_RNA) where: Base-Base interactions energy: -6.217 where: short stacking energy: -6.217 Base-Backbone interact. energy: -0.000 local terms energy: -17.626881 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -3.364 flat angles C4'-P-C4' energy: -4.574 flat angles P-C4'-P energy: -2.601 tors. eta vs tors. theta energy: -3.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -22.650554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.650554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.650554 (E_RNA) where: Base-Base interactions energy: -7.755 where: short stacking energy: -7.755 Base-Backbone interact. energy: -0.000 local terms energy: -14.895414 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.370 flat angles C4'-P-C4' energy: -3.623 flat angles P-C4'-P energy: -2.205 tors. eta vs tors. theta energy: -0.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -27.356487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.356487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.356487 (E_RNA) where: Base-Base interactions energy: -8.232 where: short stacking energy: -8.232 Base-Backbone interact. energy: -0.000 local terms energy: -19.124625 where: bonds (distance) C4'-P energy: -4.341 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.666 flat angles P-C4'-P energy: -1.772 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: 6, replica: 5 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -24.882033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.882033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.882033 (E_RNA) where: Base-Base interactions energy: -7.318 where: short stacking energy: -7.318 Base-Backbone interact. energy: -0.009 local terms energy: -17.554656 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -4.614 flat angles P-C4'-P energy: -1.925 tors. eta vs tors. theta energy: -1.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -25.209367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.209367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.209367 (E_RNA) where: Base-Base interactions energy: -6.686 where: short stacking energy: -6.686 Base-Backbone interact. energy: -0.000 local terms energy: -18.523399 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -4.842 flat angles C4'-P-C4' energy: -3.475 flat angles P-C4'-P energy: -2.410 tors. eta vs tors. theta energy: -3.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -22.688247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.688247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.688247 (E_RNA) where: Base-Base interactions energy: -6.271 where: short stacking energy: -6.271 Base-Backbone interact. energy: -0.000 local terms energy: -16.417291 where: bonds (distance) C4'-P energy: -1.029 bonds (distance) P-C4' energy: -3.553 flat angles C4'-P-C4' energy: -4.241 flat angles P-C4'-P energy: -3.702 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: 9, replica: 10 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -22.215426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.215426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.215426 (E_RNA) where: Base-Base interactions energy: -4.550 where: short stacking energy: -4.550 Base-Backbone interact. energy: -0.907 local terms energy: -16.758771 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.128 flat angles C4'-P-C4' energy: -2.762 flat angles P-C4'-P energy: -3.537 tors. eta vs tors. theta energy: -0.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -22.891966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.891966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.891966 (E_RNA) where: Base-Base interactions energy: -7.934 where: short stacking energy: -7.934 Base-Backbone interact. energy: -0.000 local terms energy: -14.957484 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.401 flat angles P-C4'-P energy: 0.793 tors. eta vs tors. theta energy: -1.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -25.150312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.150312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.150312 (E_RNA) where: Base-Base interactions energy: -9.156 where: short stacking energy: -9.156 Base-Backbone interact. energy: -0.005 local terms energy: -15.989537 where: bonds (distance) C4'-P energy: -3.708 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -3.917 flat angles P-C4'-P energy: -2.058 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: 2, replica: 3 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -23.475502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.475502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.475502 (E_RNA) where: Base-Base interactions energy: -6.212 where: short stacking energy: -6.212 Base-Backbone interact. energy: -0.000 local terms energy: -17.263235 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.578 flat angles C4'-P-C4' energy: -4.187 flat angles P-C4'-P energy: -3.391 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: 3, replica: 2 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -23.487119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.487119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.487119 (E_RNA) where: Base-Base interactions energy: -6.880 where: short stacking energy: -6.880 Base-Backbone interact. energy: -0.001 local terms energy: -16.606877 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.413 flat angles C4'-P-C4' energy: -3.616 flat angles P-C4'-P energy: -3.436 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: 4, replica: 7 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -26.822420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.822420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.822420 (E_RNA) where: Base-Base interactions energy: -8.786 where: short stacking energy: -8.786 Base-Backbone interact. energy: -0.000 local terms energy: -18.036193 where: bonds (distance) C4'-P energy: -3.673 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.880 flat angles P-C4'-P energy: -2.124 tors. eta vs tors. theta energy: -3.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -27.031219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.031219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.031219 (E_RNA) where: Base-Base interactions energy: -9.481 where: short stacking energy: -9.481 Base-Backbone interact. energy: -0.018 local terms energy: -17.532017 where: bonds (distance) C4'-P energy: -3.380 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.811 flat angles P-C4'-P energy: -2.961 tors. eta vs tors. theta energy: -2.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -25.280274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.280274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.280274 (E_RNA) where: Base-Base interactions energy: -10.237 where: short stacking energy: -10.237 Base-Backbone interact. energy: -0.003 local terms energy: -15.039960 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -3.836 flat angles P-C4'-P energy: -2.388 tors. eta vs tors. theta energy: -1.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -25.655184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.655184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.655184 (E_RNA) where: Base-Base interactions energy: -5.245 where: short stacking energy: -5.245 Base-Backbone interact. energy: -0.000 local terms energy: -20.410368 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.437 flat angles P-C4'-P energy: -3.540 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: 10 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -21.531858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.531858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.531858 (E_RNA) where: Base-Base interactions energy: -5.723 where: short stacking energy: -5.723 Base-Backbone interact. energy: -0.000 local terms energy: -15.808472 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -4.343 flat angles C4'-P-C4' energy: -3.890 flat angles P-C4'-P energy: -0.884 tors. eta vs tors. theta energy: -3.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -24.042556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.042556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.042556 (E_RNA) where: Base-Base interactions energy: -7.741 where: short stacking energy: -7.741 Base-Backbone interact. energy: -0.000 local terms energy: -16.301051 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -2.524 flat angles P-C4'-P energy: -2.555 tors. eta vs tors. theta energy: -2.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -20.342179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.342179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.342179 (E_RNA) where: Base-Base interactions energy: -7.561 where: short stacking energy: -7.561 Base-Backbone interact. energy: -0.000 local terms energy: -12.780980 where: bonds (distance) C4'-P energy: -2.805 bonds (distance) P-C4' energy: -4.051 flat angles C4'-P-C4' energy: -4.048 flat angles P-C4'-P energy: 0.993 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: 1, replica: 3 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -27.145545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.145545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.145545 (E_RNA) where: Base-Base interactions energy: -10.173 where: short stacking energy: -10.173 Base-Backbone interact. energy: -0.000 local terms energy: -16.972591 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -3.730 flat angles C4'-P-C4' energy: -4.614 flat angles P-C4'-P energy: -2.995 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: 2, replica: 8 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -24.131074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.131074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.131074 (E_RNA) where: Base-Base interactions energy: -6.591 where: short stacking energy: -6.591 Base-Backbone interact. energy: -0.008 local terms energy: -17.532055 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.044 flat angles P-C4'-P energy: -2.187 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: 3, replica: 7 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -26.882760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.882760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.882760 (E_RNA) where: Base-Base interactions energy: -9.231 where: short stacking energy: -9.231 Base-Backbone interact. energy: -0.009 local terms energy: -17.642771 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.061 flat angles P-C4'-P energy: -2.937 tors. eta vs tors. theta energy: -1.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -26.980514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.980514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.980514 (E_RNA) where: Base-Base interactions energy: -9.916 where: short stacking energy: -9.916 Base-Backbone interact. energy: -0.000 local terms energy: -17.064930 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.610 flat angles C4'-P-C4' energy: -0.751 flat angles P-C4'-P energy: -2.376 tors. eta vs tors. theta energy: -5.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -25.516433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.516433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.516433 (E_RNA) where: Base-Base interactions energy: -7.922 where: short stacking energy: -7.922 Base-Backbone interact. energy: -0.002 local terms energy: -17.591934 where: bonds (distance) C4'-P energy: -2.423 bonds (distance) P-C4' energy: -5.104 flat angles C4'-P-C4' energy: -4.199 flat angles P-C4'-P energy: -2.737 tors. eta vs tors. theta energy: -3.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -23.219528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.219528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.219528 (E_RNA) where: Base-Base interactions energy: -4.267 where: short stacking energy: -4.267 Base-Backbone interact. energy: -0.000 local terms energy: -18.952441 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.716 flat angles P-C4'-P energy: -3.901 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: 7, replica: 10 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -21.770789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.770789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.770789 (E_RNA) where: Base-Base interactions energy: -3.982 where: short stacking energy: -3.982 Base-Backbone interact. energy: -0.000 local terms energy: -17.789250 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.171 flat angles P-C4'-P energy: -3.522 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: 5 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -22.736344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.736344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.736344 (E_RNA) where: Base-Base interactions energy: -3.716 where: short stacking energy: -3.716 Base-Backbone interact. energy: -0.000 local terms energy: -19.019996 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.364 flat angles P-C4'-P energy: -3.574 tors. eta vs tors. theta energy: -3.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -21.990790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.990790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.990790 (E_RNA) where: Base-Base interactions energy: -5.087 where: short stacking energy: -5.087 Base-Backbone interact. energy: -0.000 local terms energy: -16.903952 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -2.462 flat angles P-C4'-P energy: -0.666 tors. eta vs tors. theta energy: -4.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -21.250014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.250014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.250014 (E_RNA) where: Base-Base interactions energy: -2.638 where: short stacking energy: -2.638 Base-Backbone interact. energy: -0.000 local terms energy: -18.612060 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -2.359 flat angles P-C4'-P energy: -3.745 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: 1, replica: 3 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -27.413897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.413897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.413897 (E_RNA) where: Base-Base interactions energy: -11.166 where: short stacking energy: -11.166 Base-Backbone interact. energy: -0.000 local terms energy: -16.247708 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -3.981 flat angles C4'-P-C4' energy: -2.837 flat angles P-C4'-P energy: -2.837 tors. eta vs tors. theta energy: -2.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -28.588806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.588806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.588806 (E_RNA) where: Base-Base interactions energy: -11.585 where: short stacking energy: -11.585 Base-Backbone interact. energy: -0.000 local terms energy: -17.003784 where: bonds (distance) C4'-P energy: -1.935 bonds (distance) P-C4' energy: -3.515 flat angles C4'-P-C4' energy: -4.544 flat angles P-C4'-P energy: -3.254 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: 3, replica: 8 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -31.708876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.708876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.708876 (E_RNA) where: Base-Base interactions energy: -11.211 where: short stacking energy: -11.211 Base-Backbone interact. energy: -0.000 local terms energy: -20.497536 where: bonds (distance) C4'-P energy: -3.384 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.068 flat angles P-C4'-P energy: -2.895 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: 4, replica: 4 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -27.027543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.027543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.027543 (E_RNA) where: Base-Base interactions energy: -7.441 where: short stacking energy: -7.441 Base-Backbone interact. energy: -0.000 local terms energy: -19.586186 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.436 flat angles P-C4'-P energy: -2.232 tors. eta vs tors. theta energy: -3.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -22.657757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.657757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.657757 (E_RNA) where: Base-Base interactions energy: -6.669 where: short stacking energy: -6.669 Base-Backbone interact. energy: -0.018 local terms energy: -15.971520 where: bonds (distance) C4'-P energy: -3.645 bonds (distance) P-C4' energy: -3.991 flat angles C4'-P-C4' energy: -4.249 flat angles P-C4'-P energy: -2.564 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: 6, replica: 10 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -25.021405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.021405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.021405 (E_RNA) where: Base-Base interactions energy: -7.116 where: short stacking energy: -7.116 Base-Backbone interact. energy: -0.000 local terms energy: -17.905340 where: bonds (distance) C4'-P energy: -2.954 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.319 flat angles P-C4'-P energy: -3.588 tors. eta vs tors. theta energy: -1.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -25.303130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.303130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.303130 (E_RNA) where: Base-Base interactions energy: -6.468 where: short stacking energy: -6.929 Base-Backbone interact. energy: -0.006 local terms energy: -18.828824 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.908 flat angles P-C4'-P energy: -3.685 tors. eta vs tors. theta energy: -1.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -19.533496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.533496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.533496 (E_RNA) where: Base-Base interactions energy: -6.602 where: short stacking energy: -7.105 Base-Backbone interact. energy: -1.975 local terms energy: -10.956000 where: bonds (distance) C4'-P energy: -2.154 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -1.646 flat angles P-C4'-P energy: -2.279 tors. eta vs tors. theta energy: -0.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -22.955936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.955936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.955936 (E_RNA) where: Base-Base interactions energy: -4.784 where: short stacking energy: -4.784 Base-Backbone interact. energy: -0.000 local terms energy: -18.171940 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.587 flat angles P-C4'-P energy: -3.077 tors. eta vs tors. theta energy: -1.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -20.413278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.413278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.413278 (E_RNA) where: Base-Base interactions energy: -3.934 where: short stacking energy: -3.934 Base-Backbone interact. energy: -0.000 local terms energy: -16.479527 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -3.144 flat angles P-C4'-P energy: -2.819 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: 3 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -24.849241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.849241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.849241 (E_RNA) where: Base-Base interactions energy: -7.203 where: short stacking energy: -7.203 Base-Backbone interact. energy: -0.000 local terms energy: -17.646060 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.397 flat angles P-C4'-P energy: -3.221 tors. eta vs tors. theta energy: -1.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -29.157253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.157253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.157253 (E_RNA) where: Base-Base interactions energy: -9.217 where: short stacking energy: -9.217 Base-Backbone interact. energy: -0.000 local terms energy: -19.940058 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -4.544 flat angles P-C4'-P energy: -3.545 tors. eta vs tors. theta energy: -3.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -28.424633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.424633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.424633 (E_RNA) where: Base-Base interactions energy: -10.063 where: short stacking energy: -10.063 Base-Backbone interact. energy: -0.024 local terms energy: -18.337782 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.839 flat angles C4'-P-C4' energy: -4.101 flat angles P-C4'-P energy: -2.726 tors. eta vs tors. theta energy: -2.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -26.810171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.810171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.810171 (E_RNA) where: Base-Base interactions energy: -5.115 where: short stacking energy: -5.115 Base-Backbone interact. energy: -0.000 local terms energy: -21.694693 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -4.413 flat angles C4'-P-C4' energy: -4.750 flat angles P-C4'-P energy: -3.775 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: 5, replica: 10 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -22.349026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.349026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.349026 (E_RNA) where: Base-Base interactions energy: -7.274 where: short stacking energy: -7.274 Base-Backbone interact. energy: -0.033 local terms energy: -15.042266 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.339 flat angles C4'-P-C4' energy: -2.532 flat angles P-C4'-P energy: -3.197 tors. eta vs tors. theta energy: -0.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -24.748773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.748773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.748773 (E_RNA) where: Base-Base interactions energy: -9.161 where: short stacking energy: -9.161 Base-Backbone interact. energy: -0.008 local terms energy: -15.579859 where: bonds (distance) C4'-P energy: -3.673 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.653 flat angles P-C4'-P energy: -3.019 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: 7, replica: 1 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -21.947486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.947486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.947486 (E_RNA) where: Base-Base interactions energy: -7.276 where: short stacking energy: -7.276 Base-Backbone interact. energy: -0.004 local terms energy: -14.667247 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.372 flat angles P-C4'-P energy: -2.623 tors. eta vs tors. theta energy: 0.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -24.599972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.599972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.599972 (E_RNA) where: Base-Base interactions energy: -9.075 where: short stacking energy: -9.075 Base-Backbone interact. energy: -0.000 local terms energy: -15.525324 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -2.747 flat angles C4'-P-C4' energy: -2.811 flat angles P-C4'-P energy: -2.450 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: 9, replica: 9 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -21.232263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.232263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.232263 (E_RNA) where: Base-Base interactions energy: -4.920 where: short stacking energy: -4.920 Base-Backbone interact. energy: -0.004 local terms energy: -16.307464 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -3.925 flat angles P-C4'-P energy: -3.368 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: 5 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -20.635054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.635054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.635054 (E_RNA) where: Base-Base interactions energy: -7.588 where: short stacking energy: -7.588 Base-Backbone interact. energy: -0.002 local terms energy: -13.045683 where: bonds (distance) C4'-P energy: -2.271 bonds (distance) P-C4' energy: -2.121 flat angles C4'-P-C4' energy: -3.609 flat angles P-C4'-P energy: -2.285 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: 1, replica: 3 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -26.531440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.531440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.531440 (E_RNA) where: Base-Base interactions energy: -8.328 where: short stacking energy: -8.328 Base-Backbone interact. energy: -0.000 local terms energy: -18.203331 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.571 flat angles P-C4'-P energy: -2.052 tors. eta vs tors. theta energy: -2.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -25.658728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.658728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.658728 (E_RNA) where: Base-Base interactions energy: -6.820 where: short stacking energy: -6.820 Base-Backbone interact. energy: -0.005 local terms energy: -18.833465 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -4.328 flat angles P-C4'-P energy: -3.692 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: 3, replica: 7 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -25.813623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.813623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.813623 (E_RNA) where: Base-Base interactions energy: -8.639 where: short stacking energy: -8.639 Base-Backbone interact. energy: -0.090 local terms energy: -17.084646 where: bonds (distance) C4'-P energy: -3.309 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -4.770 flat angles P-C4'-P energy: -2.198 tors. eta vs tors. theta energy: -2.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -24.209114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.209114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.209114 (E_RNA) where: Base-Base interactions energy: -5.390 where: short stacking energy: -5.390 Base-Backbone interact. energy: -0.000 local terms energy: -18.818826 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.187 flat angles P-C4'-P energy: -3.207 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: 207 Temperature: 1.100000 Total energy: -24.312050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.312050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.312050 (E_RNA) where: Base-Base interactions energy: -8.749 where: short stacking energy: -8.749 Base-Backbone interact. energy: -0.004 local terms energy: -15.559549 where: bonds (distance) C4'-P energy: -3.185 bonds (distance) P-C4' energy: -3.578 flat angles C4'-P-C4' energy: -3.749 flat angles P-C4'-P energy: -3.513 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: 1 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -25.838646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.838646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.838646 (E_RNA) where: Base-Base interactions energy: -7.383 where: short stacking energy: -7.383 Base-Backbone interact. energy: -0.006 local terms energy: -18.449283 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -4.370 flat angles C4'-P-C4' energy: -4.227 flat angles P-C4'-P energy: -3.448 tors. eta vs tors. theta energy: -3.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -18.763869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.763869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.763869 (E_RNA) where: Base-Base interactions energy: -5.253 where: short stacking energy: -5.253 Base-Backbone interact. energy: -0.001 local terms energy: -13.509903 where: bonds (distance) C4'-P energy: -0.862 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -3.777 flat angles P-C4'-P energy: -4.091 tors. eta vs tors. theta energy: -0.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -20.884370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.884370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.884370 (E_RNA) where: Base-Base interactions energy: -7.946 where: short stacking energy: -7.946 Base-Backbone interact. energy: -0.005 local terms energy: -12.933802 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.634 flat angles C4'-P-C4' energy: -3.339 flat angles P-C4'-P energy: -0.960 tors. eta vs tors. theta energy: -0.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -23.430734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.430734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.430734 (E_RNA) where: Base-Base interactions energy: -5.358 where: short stacking energy: -5.358 Base-Backbone interact. energy: -0.101 local terms energy: -17.971326 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.678 flat angles C4'-P-C4' energy: -4.544 flat angles P-C4'-P energy: -2.605 tors. eta vs tors. theta energy: -1.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -18.993529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.993529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.993529 (E_RNA) where: Base-Base interactions energy: -4.211 where: short stacking energy: -4.211 Base-Backbone interact. energy: -0.032 local terms energy: -14.750773 where: bonds (distance) C4'-P energy: -3.152 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.625 flat angles P-C4'-P energy: -3.655 tors. eta vs tors. theta energy: 0.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -28.786552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.786552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.786552 (E_RNA) where: Base-Base interactions energy: -10.647 where: short stacking energy: -10.647 Base-Backbone interact. energy: -0.005 local terms energy: -18.135158 where: bonds (distance) C4'-P energy: -2.415 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.047 flat angles P-C4'-P energy: -3.075 tors. eta vs tors. theta energy: -3.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -29.288329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.288329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.288329 (E_RNA) where: Base-Base interactions energy: -10.676 where: short stacking energy: -10.676 Base-Backbone interact. energy: -0.000 local terms energy: -18.611722 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.009 flat angles P-C4'-P energy: -3.094 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: 3, replica: 10 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -25.919811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.919811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.919811 (E_RNA) where: Base-Base interactions energy: -7.889 where: short stacking energy: -7.889 Base-Backbone interact. energy: -0.000 local terms energy: -18.031132 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -3.554 flat angles P-C4'-P energy: -1.948 tors. eta vs tors. theta energy: -3.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -25.994160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.994160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.994160 (E_RNA) where: Base-Base interactions energy: -7.440 where: short stacking energy: -7.440 Base-Backbone interact. energy: -0.031 local terms energy: -18.522861 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.050 flat angles P-C4'-P energy: -3.892 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: 5, replica: 1 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -23.359480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.359480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.359480 (E_RNA) where: Base-Base interactions energy: -6.453 where: short stacking energy: -6.453 Base-Backbone interact. energy: -0.000 local terms energy: -16.906565 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -4.350 flat angles P-C4'-P energy: -1.968 tors. eta vs tors. theta energy: -1.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -26.931094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.931094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.931094 (E_RNA) where: Base-Base interactions energy: -9.896 where: short stacking energy: -9.896 Base-Backbone interact. energy: -0.000 local terms energy: -17.035513 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -2.451 flat angles C4'-P-C4' energy: -3.455 flat angles P-C4'-P energy: -2.312 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: 7, replica: 6 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -26.473549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.473549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.473549 (E_RNA) where: Base-Base interactions energy: -7.834 where: short stacking energy: -7.834 Base-Backbone interact. energy: -0.000 local terms energy: -18.639330 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -3.438 flat angles P-C4'-P energy: -2.528 tors. eta vs tors. theta energy: -4.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -24.217285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.217285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.217285 (E_RNA) where: Base-Base interactions energy: -7.883 where: short stacking energy: -7.883 Base-Backbone interact. energy: -0.000 local terms energy: -16.334464 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -3.443 flat angles P-C4'-P energy: -0.720 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: 9, replica: 5 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -22.023494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.023494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.023494 (E_RNA) where: Base-Base interactions energy: -3.534 where: short stacking energy: -3.534 Base-Backbone interact. energy: -0.000 local terms energy: -18.489819 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.094 flat angles P-C4'-P energy: -2.116 tors. eta vs tors. theta energy: -2.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -20.209293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.209293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.209293 (E_RNA) where: Base-Base interactions energy: -4.888 where: short stacking energy: -4.888 Base-Backbone interact. energy: -0.000 local terms energy: -15.321472 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.563 flat angles P-C4'-P energy: -2.066 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: 1, replica: 4 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -28.465198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.465198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.465198 (E_RNA) where: Base-Base interactions energy: -11.145 where: short stacking energy: -11.145 Base-Backbone interact. energy: -0.000 local terms energy: -17.320315 where: bonds (distance) C4'-P energy: -2.441 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -2.796 flat angles P-C4'-P energy: -3.418 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: 2, replica: 3 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -26.103177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.103177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.103177 (E_RNA) where: Base-Base interactions energy: -10.582 where: short stacking energy: -10.582 Base-Backbone interact. energy: -0.004 local terms energy: -15.517255 where: bonds (distance) C4'-P energy: -2.379 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.467 flat angles P-C4'-P energy: -2.419 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: 3, replica: 10 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -26.729438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.729438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.729438 (E_RNA) where: Base-Base interactions energy: -6.799 where: short stacking energy: -6.799 Base-Backbone interact. energy: -0.000 local terms energy: -19.930338 where: bonds (distance) C4'-P energy: -3.318 bonds (distance) P-C4' energy: -4.867 flat angles C4'-P-C4' energy: -3.773 flat angles P-C4'-P energy: -3.050 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: 4, replica: 1 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -24.298626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.298626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.298626 (E_RNA) where: Base-Base interactions energy: -7.708 where: short stacking energy: -7.708 Base-Backbone interact. energy: -0.008 local terms energy: -16.582679 where: bonds (distance) C4'-P energy: -2.154 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -4.746 flat angles P-C4'-P energy: -3.504 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: 5, replica: 7 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -28.676772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.676772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.676772 (E_RNA) where: Base-Base interactions energy: -11.622 where: short stacking energy: -11.622 Base-Backbone interact. energy: -0.000 local terms energy: -17.054644 where: bonds (distance) C4'-P energy: -3.673 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -2.910 flat angles P-C4'-P energy: -3.618 tors. eta vs tors. theta energy: -2.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -23.702614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.702614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.702614 (E_RNA) where: Base-Base interactions energy: -7.366 where: short stacking energy: -7.366 Base-Backbone interact. energy: -0.000 local terms energy: -16.336446 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -3.486 flat angles P-C4'-P energy: -1.939 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: 7, replica: 6 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -26.583717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.583717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.583717 (E_RNA) where: Base-Base interactions energy: -7.316 where: short stacking energy: -7.316 Base-Backbone interact. energy: -0.000 local terms energy: -19.268132 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.384 flat angles P-C4'-P energy: -1.890 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: 8, replica: 5 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -23.565290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.565290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.565290 (E_RNA) where: Base-Base interactions energy: -8.203 where: short stacking energy: -8.203 Base-Backbone interact. energy: -0.047 local terms energy: -15.315740 where: bonds (distance) C4'-P energy: -2.751 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -2.912 flat angles P-C4'-P energy: -3.656 tors. eta vs tors. theta energy: -1.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -22.652596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.652596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.652596 (E_RNA) where: Base-Base interactions energy: -5.262 where: short stacking energy: -5.262 Base-Backbone interact. energy: -0.416 local terms energy: -16.974975 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -3.277 flat angles P-C4'-P energy: -3.261 tors. eta vs tors. theta energy: -1.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -24.260692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.260692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.260692 (E_RNA) where: Base-Base interactions energy: -8.698 where: short stacking energy: -8.698 Base-Backbone interact. energy: -0.392 local terms energy: -15.170207 where: bonds (distance) C4'-P energy: -3.397 bonds (distance) P-C4' energy: -4.044 flat angles C4'-P-C4' energy: -3.887 flat angles P-C4'-P energy: -2.280 tors. eta vs tors. theta energy: -1.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -26.491372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.491372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.491372 (E_RNA) where: Base-Base interactions energy: -7.440 where: short stacking energy: -7.440 Base-Backbone interact. energy: -0.000 local terms energy: -19.051106 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -5.128 flat angles C4'-P-C4' energy: -4.540 flat angles P-C4'-P energy: -2.548 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: 2, replica: 4 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -24.792894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.792894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.792894 (E_RNA) where: Base-Base interactions energy: -9.289 where: short stacking energy: -9.485 Base-Backbone interact. energy: -0.850 local terms energy: -14.653528 where: bonds (distance) C4'-P energy: -2.573 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -1.522 flat angles P-C4'-P energy: -2.426 tors. eta vs tors. theta energy: -3.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -23.220447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.220447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.220447 (E_RNA) where: Base-Base interactions energy: -4.280 where: short stacking energy: -4.280 Base-Backbone interact. energy: -0.152 local terms energy: -18.789016 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.820 flat angles P-C4'-P energy: -3.567 tors. eta vs tors. theta energy: -1.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -26.866199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.866199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.866199 (E_RNA) where: Base-Base interactions energy: -7.464 where: short stacking energy: -7.464 Base-Backbone interact. energy: -0.000 local terms energy: -19.402383 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -4.370 flat angles C4'-P-C4' energy: -4.227 flat angles P-C4'-P energy: -2.732 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: 210 Temperature: 1.100000 Total energy: -22.546981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.546981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.546981 (E_RNA) where: Base-Base interactions energy: -3.445 where: short stacking energy: -3.445 Base-Backbone interact. energy: -0.000 local terms energy: -19.101890 where: bonds (distance) C4'-P energy: -4.643 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -3.658 flat angles P-C4'-P energy: -2.973 tors. eta vs tors. theta energy: -3.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -27.942144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.942144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.942144 (E_RNA) where: Base-Base interactions energy: -10.296 where: short stacking energy: -10.296 Base-Backbone interact. energy: -0.004 local terms energy: -17.642207 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -2.945 flat angles P-C4'-P energy: -2.718 tors. eta vs tors. theta energy: -2.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -23.891198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.891198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.891198 (E_RNA) where: Base-Base interactions energy: -6.603 where: short stacking energy: -6.603 Base-Backbone interact. energy: -0.032 local terms energy: -17.255339 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -3.100 flat angles C4'-P-C4' energy: -4.506 flat angles P-C4'-P energy: -2.486 tors. eta vs tors. theta energy: -3.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -24.484631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.484631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.484631 (E_RNA) where: Base-Base interactions energy: -11.592 where: short stacking energy: -11.592 Base-Backbone interact. energy: -0.000 local terms energy: -12.892065 where: bonds (distance) C4'-P energy: -3.479 bonds (distance) P-C4' energy: -4.106 flat angles C4'-P-C4' energy: -0.640 flat angles P-C4'-P energy: -3.424 tors. eta vs tors. theta energy: -1.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -26.443447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.443447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.443447 (E_RNA) where: Base-Base interactions energy: -8.755 where: short stacking energy: -8.755 Base-Backbone interact. energy: -0.000 local terms energy: -17.688401 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -3.364 flat angles C4'-P-C4' energy: -4.552 flat angles P-C4'-P energy: -1.701 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: 10, replica: 2 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -20.517756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.517756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.517756 (E_RNA) where: Base-Base interactions energy: -2.635 where: short stacking energy: -2.635 Base-Backbone interact. energy: -0.000 local terms energy: -17.883204 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.735 flat angles P-C4'-P energy: -3.643 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: 3 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -25.744889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.744889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.744889 (E_RNA) where: Base-Base interactions energy: -9.045 where: short stacking energy: -9.045 Base-Backbone interact. energy: -0.004 local terms energy: -16.695964 where: bonds (distance) C4'-P energy: -3.683 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.088 flat angles P-C4'-P energy: -3.485 tors. eta vs tors. theta energy: -1.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -28.878481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.878481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.878481 (E_RNA) where: Base-Base interactions energy: -11.094 where: short stacking energy: -11.094 Base-Backbone interact. energy: -0.000 local terms energy: -17.784799 where: bonds (distance) C4'-P energy: -2.279 bonds (distance) P-C4' energy: -4.867 flat angles C4'-P-C4' energy: -4.487 flat angles P-C4'-P energy: -3.350 tors. eta vs tors. theta energy: -2.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -28.584835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.584835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.584835 (E_RNA) where: Base-Base interactions energy: -9.080 where: short stacking energy: -9.080 Base-Backbone interact. energy: -0.000 local terms energy: -19.504838 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.150 flat angles P-C4'-P energy: -3.306 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: 4, replica: 8 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -25.830867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.830867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.830867 (E_RNA) where: Base-Base interactions energy: -7.299 where: short stacking energy: -7.299 Base-Backbone interact. energy: -0.000 local terms energy: -18.531932 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.869 flat angles P-C4'-P energy: -3.611 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: 211 Temperature: 1.100000 Total energy: -21.295281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.295281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.295281 (E_RNA) where: Base-Base interactions energy: -3.111 where: short stacking energy: -3.111 Base-Backbone interact. energy: -0.051 local terms energy: -18.133154 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.555 flat angles P-C4'-P energy: -2.676 tors. eta vs tors. theta energy: -0.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -25.449035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.449035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.449035 (E_RNA) where: Base-Base interactions energy: -10.667 where: short stacking energy: -10.667 Base-Backbone interact. energy: -0.000 local terms energy: -14.781530 where: bonds (distance) C4'-P energy: -2.209 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -3.176 flat angles P-C4'-P energy: -1.877 tors. eta vs tors. theta energy: -2.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -23.845382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.845382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.845382 (E_RNA) where: Base-Base interactions energy: -8.183 where: short stacking energy: -8.183 Base-Backbone interact. energy: -0.004 local terms energy: -15.657776 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -2.696 flat angles P-C4'-P energy: -3.701 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: 9 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -21.910897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.910897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.910897 (E_RNA) where: Base-Base interactions energy: -8.697 where: short stacking energy: -8.697 Base-Backbone interact. energy: -0.004 local terms energy: -13.210163 where: bonds (distance) C4'-P energy: -3.645 bonds (distance) P-C4' energy: -3.981 flat angles C4'-P-C4' energy: -3.447 flat angles P-C4'-P energy: -0.867 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: 9, replica: 6 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -22.304179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.304179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.304179 (E_RNA) where: Base-Base interactions energy: -5.153 where: short stacking energy: -5.153 Base-Backbone interact. energy: -0.000 local terms energy: -17.151015 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -3.672 flat angles P-C4'-P energy: -3.418 tors. eta vs tors. theta energy: -1.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -26.317538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.317538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.317538 (E_RNA) where: Base-Base interactions energy: -6.931 where: short stacking energy: -6.931 Base-Backbone interact. energy: -0.000 local terms energy: -19.386867 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.150 flat angles P-C4'-P energy: -3.605 tors. eta vs tors. theta energy: -2.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -29.116244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.116244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.116244 (E_RNA) where: Base-Base interactions energy: -7.111 where: short stacking energy: -7.111 Base-Backbone interact. energy: -0.000 local terms energy: -22.004992 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.648 flat angles P-C4'-P energy: -3.587 tors. eta vs tors. theta energy: -4.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -25.691241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.691241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.691241 (E_RNA) where: Base-Base interactions energy: -7.817 where: short stacking energy: -7.817 Base-Backbone interact. energy: -0.001 local terms energy: -17.873677 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.188 flat angles P-C4'-P energy: -2.195 tors. eta vs tors. theta energy: -2.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -27.159117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.159117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.159117 (E_RNA) where: Base-Base interactions energy: -11.193 where: short stacking energy: -11.193 Base-Backbone interact. energy: -0.001 local terms energy: -15.965794 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.629 flat angles P-C4'-P energy: -2.087 tors. eta vs tors. theta energy: -1.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -31.191053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.191053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.191053 (E_RNA) where: Base-Base interactions energy: -12.268 where: short stacking energy: -12.268 Base-Backbone interact. energy: -0.000 local terms energy: -18.923052 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.839 flat angles P-C4'-P energy: -0.982 tors. eta vs tors. theta energy: -3.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -27.976625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.976625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.976625 (E_RNA) where: Base-Base interactions energy: -11.207 where: short stacking energy: -11.207 Base-Backbone interact. energy: -0.000 local terms energy: -16.769102 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.063 flat angles P-C4'-P energy: -3.816 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: 6, replica: 10 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -20.648563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.648563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.648563 (E_RNA) where: Base-Base interactions energy: -7.080 where: short stacking energy: -7.204 Base-Backbone interact. energy: -0.009 local terms energy: -13.559420 where: bonds (distance) C4'-P energy: -2.962 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -1.912 flat angles P-C4'-P energy: -2.145 tors. eta vs tors. theta energy: -1.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -23.135218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.135218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.135218 (E_RNA) where: Base-Base interactions energy: -8.265 where: short stacking energy: -8.265 Base-Backbone interact. energy: -0.000 local terms energy: -14.870052 where: bonds (distance) C4'-P energy: -2.913 bonds (distance) P-C4' energy: -4.606 flat angles C4'-P-C4' energy: -3.414 flat angles P-C4'-P energy: -0.073 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: 8, replica: 7 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -24.080281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.080281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.080281 (E_RNA) where: Base-Base interactions energy: -5.999 where: short stacking energy: -5.999 Base-Backbone interact. energy: -0.000 local terms energy: -18.081603 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.039 flat angles P-C4'-P energy: -3.223 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: 9, replica: 2 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -22.294379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.294379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.294379 (E_RNA) where: Base-Base interactions energy: -7.050 where: short stacking energy: -7.050 Base-Backbone interact. energy: -0.016 local terms energy: -15.228297 where: bonds (distance) C4'-P energy: -2.254 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -2.516 flat angles P-C4'-P energy: -3.114 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: 10, replica: 6 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -20.406622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.406622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.406622 (E_RNA) where: Base-Base interactions energy: -3.751 where: short stacking energy: -3.751 Base-Backbone interact. energy: -0.085 local terms energy: -16.570031 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.550 flat angles P-C4'-P energy: -3.593 tors. eta vs tors. theta energy: 0.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -27.284944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.284944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.284944 (E_RNA) where: Base-Base interactions energy: -8.293 where: short stacking energy: -8.293 Base-Backbone interact. energy: -0.002 local terms energy: -18.989543 where: bonds (distance) C4'-P energy: -4.742 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -3.675 flat angles P-C4'-P energy: -2.289 tors. eta vs tors. theta energy: -3.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -31.160668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.160668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.160668 (E_RNA) where: Base-Base interactions energy: -11.590 where: short stacking energy: -11.590 Base-Backbone interact. energy: -0.000 local terms energy: -19.570962 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.407 flat angles P-C4'-P energy: -1.954 tors. eta vs tors. theta energy: -4.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -25.055267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.055267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.055267 (E_RNA) where: Base-Base interactions energy: -7.515 where: short stacking energy: -7.515 Base-Backbone interact. energy: -0.028 local terms energy: -17.512060 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -3.831 flat angles P-C4'-P energy: -2.387 tors. eta vs tors. theta energy: -1.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -24.582468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.582468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.582468 (E_RNA) where: Base-Base interactions energy: -7.777 where: short stacking energy: -7.777 Base-Backbone interact. energy: -0.001 local terms energy: -16.804498 where: bonds (distance) C4'-P energy: -3.185 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.391 flat angles P-C4'-P energy: -2.955 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: 213 Temperature: 1.100000 Total energy: -22.642041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.642041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.642041 (E_RNA) where: Base-Base interactions energy: -6.889 where: short stacking energy: -6.889 Base-Backbone interact. energy: -0.001 local terms energy: -15.752262 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.134 flat angles P-C4'-P energy: -0.382 tors. eta vs tors. theta energy: -2.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -23.204826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.204826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.204826 (E_RNA) where: Base-Base interactions energy: -5.576 where: short stacking energy: -5.576 Base-Backbone interact. energy: -0.424 local terms energy: -17.204615 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.781 flat angles P-C4'-P energy: -2.922 tors. eta vs tors. theta energy: -2.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -24.160139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.160139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.160139 (E_RNA) where: Base-Base interactions energy: -8.301 where: short stacking energy: -8.301 Base-Backbone interact. energy: -0.000 local terms energy: -15.859483 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -3.301 flat angles C4'-P-C4' energy: -2.472 flat angles P-C4'-P energy: -3.644 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: 2 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -21.052119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.052119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.052119 (E_RNA) where: Base-Base interactions energy: -6.342 where: short stacking energy: -6.342 Base-Backbone interact. energy: -0.000 local terms energy: -14.710194 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -3.748 flat angles C4'-P-C4' energy: -4.500 flat angles P-C4'-P energy: -1.200 tors. eta vs tors. theta energy: -0.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -25.221579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.221579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.221579 (E_RNA) where: Base-Base interactions energy: -6.109 where: short stacking energy: -6.109 Base-Backbone interact. energy: -0.000 local terms energy: -19.112411 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -3.377 flat angles P-C4'-P energy: -2.818 tors. eta vs tors. theta energy: -4.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -23.965812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.965812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.965812 (E_RNA) where: Base-Base interactions energy: -7.822 where: short stacking energy: -7.822 Base-Backbone interact. energy: -0.000 local terms energy: -16.143653 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -3.941 flat angles C4'-P-C4' energy: -2.167 flat angles P-C4'-P energy: -1.561 tors. eta vs tors. theta energy: -4.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -24.689822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.689822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.689822 (E_RNA) where: Base-Base interactions energy: -8.249 where: short stacking energy: -8.249 Base-Backbone interact. energy: -0.090 local terms energy: -16.350250 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.698 flat angles P-C4'-P energy: -3.190 tors. eta vs tors. theta energy: 0.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -25.890723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.890723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.890723 (E_RNA) where: Base-Base interactions energy: -7.845 where: short stacking energy: -7.845 Base-Backbone interact. energy: -0.000 local terms energy: -18.045836 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.625 flat angles P-C4'-P energy: -3.739 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: 3, replica: 5 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -22.120852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.120852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.120852 (E_RNA) where: Base-Base interactions energy: -4.379 where: short stacking energy: -4.379 Base-Backbone interact. energy: -0.000 local terms energy: -17.742181 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -3.822 flat angles P-C4'-P energy: -3.277 tors. eta vs tors. theta energy: -2.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -22.452402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.452402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.452402 (E_RNA) where: Base-Base interactions energy: -5.962 where: short stacking energy: -5.962 Base-Backbone interact. energy: -0.000 local terms energy: -16.490718 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.548 flat angles P-C4'-P energy: -0.412 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: 5, replica: 9 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -28.126118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.126118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.126118 (E_RNA) where: Base-Base interactions energy: -10.894 where: short stacking energy: -10.894 Base-Backbone interact. energy: -0.000 local terms energy: -17.232018 where: bonds (distance) C4'-P energy: -3.939 bonds (distance) P-C4' energy: -4.343 flat angles C4'-P-C4' energy: -4.157 flat angles P-C4'-P energy: -1.199 tors. eta vs tors. theta energy: -3.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -24.362522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.362522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.362522 (E_RNA) where: Base-Base interactions energy: -7.025 where: short stacking energy: -7.025 Base-Backbone interact. energy: -0.006 local terms energy: -17.331665 where: bonds (distance) C4'-P energy: -3.708 bonds (distance) P-C4' energy: -4.339 flat angles C4'-P-C4' energy: -3.942 flat angles P-C4'-P energy: -3.326 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: 2 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -25.520249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.520249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.520249 (E_RNA) where: Base-Base interactions energy: -7.755 where: short stacking energy: -7.755 Base-Backbone interact. energy: -0.000 local terms energy: -17.764979 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -3.786 flat angles C4'-P-C4' energy: -3.741 flat angles P-C4'-P energy: -2.887 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: 8, replica: 10 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -26.231947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.231947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.231947 (E_RNA) where: Base-Base interactions energy: -10.911 where: short stacking energy: -10.911 Base-Backbone interact. energy: -0.000 local terms energy: -15.320818 where: bonds (distance) C4'-P energy: -1.790 bonds (distance) P-C4' energy: -3.748 flat angles C4'-P-C4' energy: -4.642 flat angles P-C4'-P energy: -2.091 tors. eta vs tors. theta energy: -3.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -24.235209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.235209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.235209 (E_RNA) where: Base-Base interactions energy: -7.514 where: short stacking energy: -7.514 Base-Backbone interact. energy: -0.000 local terms energy: -16.720980 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -3.824 flat angles P-C4'-P energy: -3.241 tors. eta vs tors. theta energy: -0.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -24.972537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.972537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.972537 (E_RNA) where: Base-Base interactions energy: -7.537 where: short stacking energy: -7.537 Base-Backbone interact. energy: -0.000 local terms energy: -17.436016 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.097 flat angles P-C4'-P energy: -2.135 tors. eta vs tors. theta energy: -3.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -24.707507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.707507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.707507 (E_RNA) where: Base-Base interactions energy: -7.794 where: short stacking energy: -7.794 Base-Backbone interact. energy: -0.001 local terms energy: -16.912497 where: bonds (distance) C4'-P energy: -4.742 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.173 flat angles P-C4'-P energy: -1.625 tors. eta vs tors. theta energy: -3.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -26.599049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.599049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.599049 (E_RNA) where: Base-Base interactions energy: -7.543 where: short stacking energy: -7.543 Base-Backbone interact. energy: -0.173 local terms energy: -18.883248 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.736 flat angles P-C4'-P energy: -3.189 tors. eta vs tors. theta energy: -1.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -23.693442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.693442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.693442 (E_RNA) where: Base-Base interactions energy: -4.543 where: short stacking energy: -4.543 Base-Backbone interact. energy: -0.088 local terms energy: -19.062016 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -3.836 flat angles P-C4'-P energy: -3.637 tors. eta vs tors. theta energy: -2.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -21.527518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.527518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.527518 (E_RNA) where: Base-Base interactions energy: -6.497 where: short stacking energy: -6.497 Base-Backbone interact. energy: -0.090 local terms energy: -14.939847 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.839 flat angles P-C4'-P energy: -2.279 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: 5, replica: 3 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -25.189777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.189777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.189777 (E_RNA) where: Base-Base interactions energy: -8.379 where: short stacking energy: -8.379 Base-Backbone interact. energy: -0.002 local terms energy: -16.808778 where: bonds (distance) C4'-P energy: -3.505 bonds (distance) P-C4' energy: -4.339 flat angles C4'-P-C4' energy: -4.163 flat angles P-C4'-P energy: -3.335 tors. eta vs tors. theta energy: -1.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -23.902027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.902027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.902027 (E_RNA) where: Base-Base interactions energy: -11.048 where: short stacking energy: -11.048 Base-Backbone interact. energy: -0.006 local terms energy: -12.848364 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.941 flat angles P-C4'-P energy: 0.773 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: 7, replica: 4 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -23.330847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.330847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.330847 (E_RNA) where: Base-Base interactions energy: -5.397 where: short stacking energy: -5.397 Base-Backbone interact. energy: -0.000 local terms energy: -17.933993 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.787 flat angles P-C4'-P energy: -3.226 tors. eta vs tors. theta energy: -2.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -21.352488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.352488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.352488 (E_RNA) where: Base-Base interactions energy: -7.013 where: short stacking energy: -7.013 Base-Backbone interact. energy: -0.100 local terms energy: -14.238993 where: bonds (distance) C4'-P energy: -1.935 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.105 flat angles P-C4'-P energy: -3.950 tors. eta vs tors. theta energy: -1.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -21.924388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.924388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.924388 (E_RNA) where: Base-Base interactions energy: -4.503 where: short stacking energy: -4.503 Base-Backbone interact. energy: -0.000 local terms energy: -17.420761 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.539 flat angles P-C4'-P energy: -1.510 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: 10, replica: 7 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -23.370703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.370703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.370703 (E_RNA) where: Base-Base interactions energy: -6.608 where: short stacking energy: -6.608 Base-Backbone interact. energy: -0.094 local terms energy: -16.669310 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.500 flat angles P-C4'-P energy: -1.410 tors. eta vs tors. theta energy: -1.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -30.905677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.905677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.905677 (E_RNA) where: Base-Base interactions energy: -11.636 where: short stacking energy: -11.636 Base-Backbone interact. energy: -0.000 local terms energy: -19.269770 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -4.111 flat angles P-C4'-P energy: -2.108 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: 8 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -27.075613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.075613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.075613 (E_RNA) where: Base-Base interactions energy: -9.051 where: short stacking energy: -9.051 Base-Backbone interact. energy: -0.018 local terms energy: -18.005944 where: bonds (distance) C4'-P energy: -2.324 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.455 flat angles P-C4'-P energy: -3.854 tors. eta vs tors. theta energy: -2.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -23.232029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.232029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.232029 (E_RNA) where: Base-Base interactions energy: -5.860 where: short stacking energy: -5.860 Base-Backbone interact. energy: -0.000 local terms energy: -17.371663 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.959 flat angles P-C4'-P energy: -2.564 tors. eta vs tors. theta energy: -1.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -24.735014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.735014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.735014 (E_RNA) where: Base-Base interactions energy: -6.870 where: short stacking energy: -6.870 Base-Backbone interact. energy: -0.000 local terms energy: -17.864927 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.336 flat angles C4'-P-C4' energy: -2.937 flat angles P-C4'-P energy: -3.318 tors. eta vs tors. theta energy: -3.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -23.073908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.073908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.073908 (E_RNA) where: Base-Base interactions energy: -7.875 where: short stacking energy: -7.875 Base-Backbone interact. energy: -0.037 local terms energy: -15.161481 where: bonds (distance) C4'-P energy: -2.154 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.975 flat angles P-C4'-P energy: -3.179 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: 6, replica: 3 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -26.221526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.221526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.221526 (E_RNA) where: Base-Base interactions energy: -7.134 where: short stacking energy: -7.134 Base-Backbone interact. energy: -0.000 local terms energy: -19.087635 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.383 flat angles P-C4'-P energy: -3.426 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: 7, replica: 6 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -25.511278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.511278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.511278 (E_RNA) where: Base-Base interactions energy: -8.412 where: short stacking energy: -8.412 Base-Backbone interact. energy: -0.000 local terms energy: -17.099494 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.326 flat angles P-C4'-P energy: -3.001 tors. eta vs tors. theta energy: -0.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -24.169516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.169516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.169516 (E_RNA) where: Base-Base interactions energy: -10.886 where: short stacking energy: -10.886 Base-Backbone interact. energy: -0.074 local terms energy: -13.209158 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -3.331 flat angles P-C4'-P energy: 0.070 tors. eta vs tors. theta energy: -1.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -21.959138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.959138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.959138 (E_RNA) where: Base-Base interactions energy: -7.351 where: short stacking energy: -7.351 Base-Backbone interact. energy: -0.002 local terms energy: -14.606363 where: bonds (distance) C4'-P energy: -2.904 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -2.652 flat angles P-C4'-P energy: -3.205 tors. eta vs tors. theta energy: -0.752 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: 10 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -17.941050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.941050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.941050 (E_RNA) where: Base-Base interactions energy: -4.044 where: short stacking energy: -4.044 Base-Backbone interact. energy: -0.000 local terms energy: -13.896987 where: bonds (distance) C4'-P energy: -2.448 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.911 flat angles P-C4'-P energy: -2.448 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: 1, replica: 5 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -29.203855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.203855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.203855 (E_RNA) where: Base-Base interactions energy: -9.024 where: short stacking energy: -9.024 Base-Backbone interact. energy: -0.786 local terms energy: -19.393933 where: bonds (distance) C4'-P energy: -3.761 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.111 flat angles P-C4'-P energy: -2.815 tors. eta vs tors. theta energy: -3.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -28.265195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.265195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.265195 (E_RNA) where: Base-Base interactions energy: -9.404 where: short stacking energy: -9.404 Base-Backbone interact. energy: -0.000 local terms energy: -18.861630 where: bonds (distance) C4'-P energy: -3.268 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.534 flat angles P-C4'-P energy: -2.503 tors. eta vs tors. theta energy: -3.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -26.073604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.073604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.073604 (E_RNA) where: Base-Base interactions energy: -9.165 where: short stacking energy: -9.165 Base-Backbone interact. energy: -0.000 local terms energy: -16.908629 where: bonds (distance) C4'-P energy: -4.311 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.230 flat angles P-C4'-P energy: -1.660 tors. eta vs tors. theta energy: -2.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -22.995458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.995458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.995458 (E_RNA) where: Base-Base interactions energy: -3.556 where: short stacking energy: -3.556 Base-Backbone interact. energy: -0.000 local terms energy: -19.439805 where: bonds (distance) C4'-P energy: -3.889 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -4.169 flat angles P-C4'-P energy: -3.008 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: 5, replica: 1 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -22.258651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.258651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.258651 (E_RNA) where: Base-Base interactions energy: -5.892 where: short stacking energy: -5.892 Base-Backbone interact. energy: -0.032 local terms energy: -16.334955 where: bonds (distance) C4'-P energy: -3.045 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -4.731 flat angles P-C4'-P energy: -3.384 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: 6, replica: 6 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -24.699000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.699000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.699000 (E_RNA) where: Base-Base interactions energy: -6.882 where: short stacking energy: -6.882 Base-Backbone interact. energy: -0.000 local terms energy: -17.817466 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.578 flat angles P-C4'-P energy: -3.510 tors. eta vs tors. theta energy: -1.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -23.983596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.983596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.983596 (E_RNA) where: Base-Base interactions energy: -6.752 where: short stacking energy: -6.752 Base-Backbone interact. energy: -0.000 local terms energy: -17.231425 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -1.799 flat angles P-C4'-P energy: -3.149 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: 8, replica: 7 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -19.878678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.878678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.878678 (E_RNA) where: Base-Base interactions energy: -3.232 where: short stacking energy: -3.232 Base-Backbone interact. energy: -0.100 local terms energy: -16.546736 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -5.128 flat angles C4'-P-C4' energy: -4.510 flat angles P-C4'-P energy: -2.217 tors. eta vs tors. theta energy: -0.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -20.584081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.584081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.584081 (E_RNA) where: Base-Base interactions energy: -3.490 where: short stacking energy: -3.490 Base-Backbone interact. energy: -0.363 local terms energy: -16.731078 where: bonds (distance) C4'-P energy: -3.169 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.885 flat angles P-C4'-P energy: -3.255 tors. eta vs tors. theta energy: -2.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -23.372988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.372988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.372988 (E_RNA) where: Base-Base interactions energy: -7.630 where: short stacking energy: -7.630 Base-Backbone interact. energy: -0.011 local terms energy: -15.731536 where: bonds (distance) C4'-P energy: -3.264 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.061 flat angles P-C4'-P energy: -3.691 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: 218 Temperature: 0.900000 Total energy: -30.339153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.339153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.339153 (E_RNA) where: Base-Base interactions energy: -10.051 where: short stacking energy: -10.051 Base-Backbone interact. energy: -0.000 local terms energy: -20.288530 where: bonds (distance) C4'-P energy: -3.161 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.939 flat angles P-C4'-P energy: -2.293 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: 2, replica: 5 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -20.879429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.879429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.879429 (E_RNA) where: Base-Base interactions energy: -5.163 where: short stacking energy: -5.163 Base-Backbone interact. energy: -0.039 local terms energy: -15.676984 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.820 flat angles P-C4'-P energy: -2.398 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: 3, replica: 2 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -25.961868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.961868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.961868 (E_RNA) where: Base-Base interactions energy: -8.407 where: short stacking energy: -8.407 Base-Backbone interact. energy: -0.709 local terms energy: -16.845564 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -2.240 flat angles P-C4'-P energy: -3.871 tors. eta vs tors. theta energy: -1.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -24.909829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.909829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.909829 (E_RNA) where: Base-Base interactions energy: -8.454 where: short stacking energy: -8.454 Base-Backbone interact. energy: -0.000 local terms energy: -16.455339 where: bonds (distance) C4'-P energy: -4.270 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.138 flat angles P-C4'-P energy: -1.286 tors. eta vs tors. theta energy: -1.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -24.956117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.956117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.956117 (E_RNA) where: Base-Base interactions energy: -7.167 where: short stacking energy: -7.167 Base-Backbone interact. energy: -0.000 local terms energy: -17.789212 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.092 flat angles P-C4'-P energy: -1.981 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: 6, replica: 1 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -24.008511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.008511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.008511 (E_RNA) where: Base-Base interactions energy: -7.797 where: short stacking energy: -7.797 Base-Backbone interact. energy: -0.000 local terms energy: -16.210973 where: bonds (distance) C4'-P energy: -4.018 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.992 flat angles P-C4'-P energy: -2.552 tors. eta vs tors. theta energy: -1.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -20.683495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.683495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.683495 (E_RNA) where: Base-Base interactions energy: -7.933 where: short stacking energy: -7.933 Base-Backbone interact. energy: -0.001 local terms energy: -12.749584 where: bonds (distance) C4'-P energy: -3.335 bonds (distance) P-C4' energy: -2.029 flat angles C4'-P-C4' energy: -4.343 flat angles P-C4'-P energy: -1.733 tors. eta vs tors. theta energy: -1.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -21.863947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.863947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.863947 (E_RNA) where: Base-Base interactions energy: -6.361 where: short stacking energy: -6.361 Base-Backbone interact. energy: -0.079 local terms energy: -15.423422 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -3.791 flat angles C4'-P-C4' energy: -3.928 flat angles P-C4'-P energy: -2.514 tors. eta vs tors. theta energy: -1.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -19.358046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.358046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.358046 (E_RNA) where: Base-Base interactions energy: -5.654 where: short stacking energy: -5.654 Base-Backbone interact. energy: -0.000 local terms energy: -13.703991 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -3.643 flat angles C4'-P-C4' energy: -3.198 flat angles P-C4'-P energy: -1.435 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: 10, replica: 4 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -19.400472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.400472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.400472 (E_RNA) where: Base-Base interactions energy: -2.880 where: short stacking energy: -2.880 Base-Backbone interact. energy: -0.036 local terms energy: -16.484149 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -3.892 flat angles P-C4'-P energy: -3.093 tors. eta vs tors. theta energy: -0.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -30.574836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.574836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.574836 (E_RNA) where: Base-Base interactions energy: -11.788 where: short stacking energy: -11.788 Base-Backbone interact. energy: -0.000 local terms energy: -18.786444 where: bonds (distance) C4'-P energy: -4.233 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.135 flat angles P-C4'-P energy: -2.419 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: 219 Temperature: 0.950000 Total energy: -27.014402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.014402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.014402 (E_RNA) where: Base-Base interactions energy: -7.821 where: short stacking energy: -7.821 Base-Backbone interact. energy: -0.000 local terms energy: -19.193754 where: bonds (distance) C4'-P energy: -4.279 bonds (distance) P-C4' energy: -4.867 flat angles C4'-P-C4' energy: -3.675 flat angles P-C4'-P energy: -3.644 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: 3, replica: 5 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -26.351385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.351385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.351385 (E_RNA) where: Base-Base interactions energy: -7.158 where: short stacking energy: -7.158 Base-Backbone interact. energy: -0.000 local terms energy: -19.192768 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.198 flat angles P-C4'-P energy: -3.482 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: 4, replica: 6 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -26.222191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.222191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.222191 (E_RNA) where: Base-Base interactions energy: -6.105 where: short stacking energy: -6.105 Base-Backbone interact. energy: -0.000 local terms energy: -20.117455 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.466 flat angles P-C4'-P energy: -3.203 tors. eta vs tors. theta energy: -4.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -26.510835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.510835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.510835 (E_RNA) where: Base-Base interactions energy: -6.826 where: short stacking energy: -6.826 Base-Backbone interact. energy: -0.003 local terms energy: -19.682462 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.137 flat angles P-C4'-P energy: -3.175 tors. eta vs tors. theta energy: -2.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -24.930354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.930354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.930354 (E_RNA) where: Base-Base interactions energy: -7.922 where: short stacking energy: -7.922 Base-Backbone interact. energy: -0.000 local terms energy: -17.007916 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -3.944 flat angles C4'-P-C4' energy: -4.574 flat angles P-C4'-P energy: -2.427 tors. eta vs tors. theta energy: -2.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -22.865131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.865131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.865131 (E_RNA) where: Base-Base interactions energy: -7.439 where: short stacking energy: -7.439 Base-Backbone interact. energy: -0.010 local terms energy: -15.416599 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -3.106 flat angles C4'-P-C4' energy: -3.552 flat angles P-C4'-P energy: -2.996 tors. eta vs tors. theta energy: -1.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -23.122348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.122348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.122348 (E_RNA) where: Base-Base interactions energy: -3.799 where: short stacking energy: -3.799 Base-Backbone interact. energy: -0.000 local terms energy: -19.323737 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.419 flat angles P-C4'-P energy: -1.795 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: 9, replica: 3 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -22.942173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.942173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.942173 (E_RNA) where: Base-Base interactions energy: -7.269 where: short stacking energy: -7.269 Base-Backbone interact. energy: -0.010 local terms energy: -15.663127 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -4.610 flat angles P-C4'-P energy: -1.887 tors. eta vs tors. theta energy: -0.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -21.669320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.669320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.669320 (E_RNA) where: Base-Base interactions energy: -5.938 where: short stacking energy: -5.938 Base-Backbone interact. energy: -0.010 local terms energy: -15.722245 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -4.559 flat angles P-C4'-P energy: -1.721 tors. eta vs tors. theta energy: -0.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -26.789829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.789829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.789829 (E_RNA) where: Base-Base interactions energy: -6.974 where: short stacking energy: -6.974 Base-Backbone interact. energy: -0.017 local terms energy: -19.798796 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.679 flat angles P-C4'-P energy: -2.322 tors. eta vs tors. theta energy: -3.403 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: 9 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -25.655511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.655511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.655511 (E_RNA) where: Base-Base interactions energy: -8.183 where: short stacking energy: -8.183 Base-Backbone interact. energy: -0.002 local terms energy: -17.470625 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.044 flat angles P-C4'-P energy: -3.155 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: 3, replica: 6 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -26.481750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.481750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.481750 (E_RNA) where: Base-Base interactions energy: -6.455 where: short stacking energy: -6.455 Base-Backbone interact. energy: -0.002 local terms energy: -20.024980 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.375 flat angles P-C4'-P energy: -2.653 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: 5 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -29.097086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.097086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.097086 (E_RNA) where: Base-Base interactions energy: -10.429 where: short stacking energy: -10.429 Base-Backbone interact. energy: -0.000 local terms energy: -18.668013 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.360 flat angles P-C4'-P energy: -2.421 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: 5, replica: 1 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -25.675801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.675801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.675801 (E_RNA) where: Base-Base interactions energy: -9.154 where: short stacking energy: -9.154 Base-Backbone interact. energy: -0.000 local terms energy: -16.521424 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -2.361 flat angles C4'-P-C4' energy: -4.080 flat angles P-C4'-P energy: -2.674 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: 6, replica: 8 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -25.078625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.078625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.078625 (E_RNA) where: Base-Base interactions energy: -8.135 where: short stacking energy: -8.135 Base-Backbone interact. energy: -0.000 local terms energy: -16.943900 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -3.026 flat angles P-C4'-P energy: -2.323 tors. eta vs tors. theta energy: -2.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -25.645543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.645543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.645543 (E_RNA) where: Base-Base interactions energy: -6.938 where: short stacking energy: -6.938 Base-Backbone interact. energy: -0.062 local terms energy: -18.645407 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -3.839 flat angles P-C4'-P energy: -3.218 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: 8, replica: 7 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -19.930661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.930661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.930661 (E_RNA) where: Base-Base interactions energy: -4.319 where: short stacking energy: -4.319 Base-Backbone interact. energy: -0.029 local terms energy: -15.582550 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -3.849 flat angles P-C4'-P energy: -2.875 tors. eta vs tors. theta energy: 0.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -21.766919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.766919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.766919 (E_RNA) where: Base-Base interactions energy: -7.434 where: short stacking energy: -7.434 Base-Backbone interact. energy: -0.001 local terms energy: -14.332120 where: bonds (distance) C4'-P energy: -2.867 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.568 flat angles P-C4'-P energy: -1.267 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: 10, replica: 3 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -20.194348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.194348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.194348 (E_RNA) where: Base-Base interactions energy: -4.095 where: short stacking energy: -4.195 Base-Backbone interact. energy: -2.295 local terms energy: -13.804216 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -3.413 flat angles P-C4'-P energy: -2.024 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: 1, replica: 2 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -27.641225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.641225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.641225 (E_RNA) where: Base-Base interactions energy: -7.977 where: short stacking energy: -7.977 Base-Backbone interact. energy: -0.034 local terms energy: -19.630562 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.839 flat angles C4'-P-C4' energy: -4.939 flat angles P-C4'-P energy: -3.567 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: 2, replica: 6 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -26.461113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.461113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.461113 (E_RNA) where: Base-Base interactions energy: -8.442 where: short stacking energy: -8.442 Base-Backbone interact. energy: -0.099 local terms energy: -17.919423 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.786 flat angles P-C4'-P energy: -2.729 tors. eta vs tors. theta energy: -2.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -25.402264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.402264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.402264 (E_RNA) where: Base-Base interactions energy: -8.077 where: short stacking energy: -8.077 Base-Backbone interact. energy: -0.008 local terms energy: -17.317481 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -3.208 flat angles P-C4'-P energy: -3.397 tors. eta vs tors. theta energy: -1.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -26.949971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.949971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.949971 (E_RNA) where: Base-Base interactions energy: -10.902 where: short stacking energy: -10.902 Base-Backbone interact. energy: -0.000 local terms energy: -16.047833 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.417 flat angles C4'-P-C4' energy: -2.267 flat angles P-C4'-P energy: -3.391 tors. eta vs tors. theta energy: -1.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -28.373146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.373146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.373146 (E_RNA) where: Base-Base interactions energy: -9.746 where: short stacking energy: -9.746 Base-Backbone interact. energy: -0.000 local terms energy: -18.626942 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.116 flat angles P-C4'-P energy: -2.687 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: 6, replica: 10 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -28.106855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.106855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.106855 (E_RNA) where: Base-Base interactions energy: -11.058 where: short stacking energy: -11.058 Base-Backbone interact. energy: -0.000 local terms energy: -17.049113 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -3.889 flat angles C4'-P-C4' energy: -4.173 flat angles P-C4'-P energy: -3.692 tors. eta vs tors. theta energy: -1.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -22.456603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.456603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.456603 (E_RNA) where: Base-Base interactions energy: -6.197 where: short stacking energy: -6.197 Base-Backbone interact. energy: -0.002 local terms energy: -16.256925 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -4.082 flat angles C4'-P-C4' energy: -4.201 flat angles P-C4'-P energy: -3.948 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: 8, replica: 4 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -20.525741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.525741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.525741 (E_RNA) where: Base-Base interactions energy: -3.759 where: short stacking energy: -3.759 Base-Backbone interact. energy: -0.000 local terms energy: -16.766442 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.552 flat angles P-C4'-P energy: -1.698 tors. eta vs tors. theta energy: -0.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -19.347313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.347313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.347313 (E_RNA) where: Base-Base interactions energy: -4.756 where: short stacking energy: -4.756 Base-Backbone interact. energy: -0.000 local terms energy: -14.590688 where: bonds (distance) C4'-P energy: -3.268 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -4.506 flat angles P-C4'-P energy: -2.576 tors. eta vs tors. theta energy: 0.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -19.082906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.082906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.082906 (E_RNA) where: Base-Base interactions energy: -4.887 where: short stacking energy: -4.887 Base-Backbone interact. energy: -0.001 local terms energy: -14.194678 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -2.568 flat angles P-C4'-P energy: -2.469 tors. eta vs tors. theta energy: -0.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -27.353522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.353522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.353522 (E_RNA) where: Base-Base interactions energy: -8.473 where: short stacking energy: -8.473 Base-Backbone interact. energy: -0.086 local terms energy: -18.794120 where: bonds (distance) C4'-P energy: -4.742 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.747 flat angles P-C4'-P energy: -3.141 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: 2, replica: 2 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -23.462315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.462315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.462315 (E_RNA) where: Base-Base interactions energy: -7.143 where: short stacking energy: -7.143 Base-Backbone interact. energy: -0.001 local terms energy: -16.317885 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -4.413 flat angles C4'-P-C4' energy: -4.173 flat angles P-C4'-P energy: -3.511 tors. eta vs tors. theta energy: -0.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -28.723363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.723363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.723363 (E_RNA) where: Base-Base interactions energy: -10.450 where: short stacking energy: -10.450 Base-Backbone interact. energy: -0.000 local terms energy: -18.272881 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -2.149 flat angles P-C4'-P energy: -3.264 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: 4, replica: 9 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -25.366286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.366286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.366286 (E_RNA) where: Base-Base interactions energy: -10.357 where: short stacking energy: -10.357 Base-Backbone interact. energy: -0.000 local terms energy: -15.009149 where: bonds (distance) C4'-P energy: -3.045 bonds (distance) P-C4' energy: -3.557 flat angles C4'-P-C4' energy: -4.008 flat angles P-C4'-P energy: -3.052 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: 5, replica: 10 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -23.362432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.362432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.362432 (E_RNA) where: Base-Base interactions energy: -6.413 where: short stacking energy: -6.413 Base-Backbone interact. energy: -0.000 local terms energy: -16.948942 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.395 flat angles P-C4'-P energy: -1.911 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: 6, replica: 5 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -23.515250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.515250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.515250 (E_RNA) where: Base-Base interactions energy: -7.992 where: short stacking energy: -7.992 Base-Backbone interact. energy: -0.001 local terms energy: -15.522717 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -3.919 flat angles C4'-P-C4' energy: -4.060 flat angles P-C4'-P energy: -2.387 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: 7, replica: 4 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -25.865126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.865126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.865126 (E_RNA) where: Base-Base interactions energy: -6.960 where: short stacking energy: -6.960 Base-Backbone interact. energy: -0.000 local terms energy: -18.905244 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -3.941 flat angles P-C4'-P energy: -3.253 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: 8, replica: 8 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -22.392584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.392584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.392584 (E_RNA) where: Base-Base interactions energy: -4.529 where: short stacking energy: -4.529 Base-Backbone interact. energy: 0.062 local terms energy: -17.925816 where: bonds (distance) C4'-P energy: -3.301 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.483 flat angles P-C4'-P energy: -2.838 tors. eta vs tors. theta energy: -1.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -23.969229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.969229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.969229 (E_RNA) where: Base-Base interactions energy: -4.034 where: short stacking energy: -4.034 Base-Backbone interact. energy: -0.000 local terms energy: -19.935060 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -4.046 flat angles P-C4'-P energy: -3.788 tors. eta vs tors. theta energy: -4.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -21.139837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.139837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.139837 (E_RNA) where: Base-Base interactions energy: -6.863 where: short stacking energy: -6.863 Base-Backbone interact. energy: -0.000 local terms energy: -14.277275 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.185 flat angles P-C4'-P energy: -0.114 tors. eta vs tors. theta energy: -0.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -30.419366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.419366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.419366 (E_RNA) where: Base-Base interactions energy: -10.501 where: short stacking energy: -10.501 Base-Backbone interact. energy: -0.000 local terms energy: -19.918171 where: bonds (distance) C4'-P energy: -4.005 bonds (distance) P-C4' energy: -4.106 flat angles C4'-P-C4' energy: -4.095 flat angles P-C4'-P energy: -2.442 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: 2, replica: 2 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -24.786159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.786159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.786159 (E_RNA) where: Base-Base interactions energy: -6.779 where: short stacking energy: -6.779 Base-Backbone interact. energy: -0.000 local terms energy: -18.007161 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.324 flat angles P-C4'-P energy: -2.431 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: 3, replica: 1 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -23.421796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.421796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.421796 (E_RNA) where: Base-Base interactions energy: -7.125 where: short stacking energy: -7.125 Base-Backbone interact. energy: -0.096 local terms energy: -16.201378 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -1.235 flat angles P-C4'-P energy: -3.254 tors. eta vs tors. theta energy: -3.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -26.318443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.318443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.318443 (E_RNA) where: Base-Base interactions energy: -6.930 where: short stacking energy: -6.930 Base-Backbone interact. energy: -0.000 local terms energy: -19.388549 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.627 flat angles P-C4'-P energy: -2.789 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: 5, replica: 9 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -23.597695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.597695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.597695 (E_RNA) where: Base-Base interactions energy: -4.316 where: short stacking energy: -4.316 Base-Backbone interact. energy: -0.104 local terms energy: -19.177667 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.360 flat angles P-C4'-P energy: -4.061 tors. eta vs tors. theta energy: -1.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -22.820604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.820604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.820604 (E_RNA) where: Base-Base interactions energy: -6.757 where: short stacking energy: -6.757 Base-Backbone interact. energy: -0.059 local terms energy: -16.004499 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -3.100 flat angles C4'-P-C4' energy: -4.068 flat angles P-C4'-P energy: -3.037 tors. eta vs tors. theta energy: -1.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -22.712633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.712633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.712633 (E_RNA) where: Base-Base interactions energy: -7.821 where: short stacking energy: -7.821 Base-Backbone interact. energy: -0.002 local terms energy: -14.890246 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -2.883 flat angles P-C4'-P energy: -3.200 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: 223 Temperature: 1.250000 Total energy: -23.493411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.493411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.493411 (E_RNA) where: Base-Base interactions energy: -7.712 where: short stacking energy: -7.712 Base-Backbone interact. energy: -0.034 local terms energy: -15.747371 where: bonds (distance) C4'-P energy: -3.384 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.331 flat angles P-C4'-P energy: -2.414 tors. eta vs tors. theta energy: -1.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -22.689754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.689754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.689754 (E_RNA) where: Base-Base interactions energy: -7.793 where: short stacking energy: -7.793 Base-Backbone interact. energy: -0.022 local terms energy: -14.873960 where: bonds (distance) C4'-P energy: -2.859 bonds (distance) P-C4' energy: -4.420 flat angles C4'-P-C4' energy: -3.036 flat angles P-C4'-P energy: -2.103 tors. eta vs tors. theta energy: -2.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -22.364427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.364427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.364427 (E_RNA) where: Base-Base interactions energy: -7.686 where: short stacking energy: -7.686 Base-Backbone interact. energy: -0.010 local terms energy: -14.668492 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -1.631 flat angles P-C4'-P energy: -1.378 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: 1, replica: 6 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -29.767237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.767237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.767237 (E_RNA) where: Base-Base interactions energy: -10.458 where: short stacking energy: -10.458 Base-Backbone interact. energy: -0.000 local terms energy: -19.309332 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.186 flat angles P-C4'-P energy: -2.892 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: 2 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -25.360101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.360101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.360101 (E_RNA) where: Base-Base interactions energy: -7.857 where: short stacking energy: -7.857 Base-Backbone interact. energy: -0.000 local terms energy: -17.503058 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -3.420 flat angles P-C4'-P energy: -3.561 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: 3, replica: 10 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -25.207575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.207575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.207575 (E_RNA) where: Base-Base interactions energy: -7.810 where: short stacking energy: -7.810 Base-Backbone interact. energy: -0.000 local terms energy: -17.397461 where: bonds (distance) C4'-P energy: -3.264 bonds (distance) P-C4' energy: -3.371 flat angles C4'-P-C4' energy: -3.988 flat angles P-C4'-P energy: -2.461 tors. eta vs tors. theta energy: -4.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -28.800161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.800161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.800161 (E_RNA) where: Base-Base interactions energy: -11.030 where: short stacking energy: -11.030 Base-Backbone interact. energy: -0.000 local terms energy: -17.769657 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -4.182 flat angles P-C4'-P energy: -2.596 tors. eta vs tors. theta energy: -1.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -28.517638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.517638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.517638 (E_RNA) where: Base-Base interactions energy: -10.056 where: short stacking energy: -10.056 Base-Backbone interact. energy: -0.001 local terms energy: -18.461442 where: bonds (distance) C4'-P energy: -3.342 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.222 flat angles P-C4'-P energy: -2.208 tors. eta vs tors. theta energy: -3.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -25.188834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.188834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.188834 (E_RNA) where: Base-Base interactions energy: -7.709 where: short stacking energy: -7.709 Base-Backbone interact. energy: -0.045 local terms energy: -17.435043 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -3.969 flat angles C4'-P-C4' energy: -4.364 flat angles P-C4'-P energy: -3.539 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: 7, replica: 3 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -24.594606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.594606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.594606 (E_RNA) where: Base-Base interactions energy: -6.572 where: short stacking energy: -6.572 Base-Backbone interact. energy: -0.079 local terms energy: -17.943533 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.574 flat angles P-C4'-P energy: -2.817 tors. eta vs tors. theta energy: -0.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -24.524775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.524775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.524775 (E_RNA) where: Base-Base interactions energy: -6.895 where: short stacking energy: -6.895 Base-Backbone interact. energy: -0.000 local terms energy: -17.629806 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.455 flat angles P-C4'-P energy: -2.114 tors. eta vs tors. theta energy: -1.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -22.105710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.105710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.105710 (E_RNA) where: Base-Base interactions energy: -7.397 where: short stacking energy: -7.397 Base-Backbone interact. energy: -0.003 local terms energy: -14.706313 where: bonds (distance) C4'-P energy: -3.513 bonds (distance) P-C4' energy: -3.751 flat angles C4'-P-C4' energy: -4.188 flat angles P-C4'-P energy: -1.677 tors. eta vs tors. theta energy: -1.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -23.624962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.624962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.624962 (E_RNA) where: Base-Base interactions energy: -8.628 where: short stacking energy: -8.628 Base-Backbone interact. energy: -0.000 local terms energy: -14.997230 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -4.575 flat angles C4'-P-C4' energy: -3.871 flat angles P-C4'-P energy: -1.323 tors. eta vs tors. theta energy: -1.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -27.465216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.465216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.465216 (E_RNA) where: Base-Base interactions energy: -10.879 where: short stacking energy: -10.879 Base-Backbone interact. energy: -0.000 local terms energy: -16.585430 where: bonds (distance) C4'-P energy: -3.789 bonds (distance) P-C4' energy: -3.889 flat angles C4'-P-C4' energy: -4.084 flat angles P-C4'-P energy: -3.382 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: 10 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -26.940384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.940384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.940384 (E_RNA) where: Base-Base interactions energy: -8.256 where: short stacking energy: -8.856 Base-Backbone interact. energy: -1.220 local terms energy: -17.464446 where: bonds (distance) C4'-P energy: -3.673 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.072 flat angles P-C4'-P energy: -2.110 tors. eta vs tors. theta energy: -3.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -23.474871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.474871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.474871 (E_RNA) where: Base-Base interactions energy: -7.347 where: short stacking energy: -7.347 Base-Backbone interact. energy: -0.003 local terms energy: -16.124857 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -2.850 flat angles P-C4'-P energy: -3.833 tors. eta vs tors. theta energy: -0.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -27.697194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.697194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.697194 (E_RNA) where: Base-Base interactions energy: -7.516 where: short stacking energy: -7.516 Base-Backbone interact. energy: -0.004 local terms energy: -20.176984 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.520 flat angles P-C4'-P energy: -3.794 tors. eta vs tors. theta energy: -2.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -24.325601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.325601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.325601 (E_RNA) where: Base-Base interactions energy: -7.045 where: short stacking energy: -7.045 Base-Backbone interact. energy: -0.000 local terms energy: -17.280727 where: bonds (distance) C4'-P energy: -2.672 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.853 flat angles P-C4'-P energy: -3.281 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: 6, replica: 3 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -27.016729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.016729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.016729 (E_RNA) where: Base-Base interactions energy: -8.923 where: short stacking energy: -8.923 Base-Backbone interact. energy: -0.000 local terms energy: -18.093826 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -4.061 flat angles P-C4'-P energy: -3.522 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: 7, replica: 9 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -19.988706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.988706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.988706 (E_RNA) where: Base-Base interactions energy: -4.137 where: short stacking energy: -4.548 Base-Backbone interact. energy: -0.006 local terms energy: -15.845976 where: bonds (distance) C4'-P energy: -3.939 bonds (distance) P-C4' energy: -3.110 flat angles C4'-P-C4' energy: -4.614 flat angles P-C4'-P energy: -3.022 tors. eta vs tors. theta energy: -1.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -23.628607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.628607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.628607 (E_RNA) where: Base-Base interactions energy: -7.559 where: short stacking energy: -7.559 Base-Backbone interact. energy: -0.000 local terms energy: -16.069310 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.438 flat angles P-C4'-P energy: -2.913 tors. eta vs tors. theta energy: -2.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -22.016306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.016306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.016306 (E_RNA) where: Base-Base interactions energy: -6.963 where: short stacking energy: -6.963 Base-Backbone interact. energy: -0.000 local terms energy: -15.053322 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -3.128 flat angles C4'-P-C4' energy: -3.749 flat angles P-C4'-P energy: -1.134 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: 10, replica: 8 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -19.730010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.730010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.730010 (E_RNA) where: Base-Base interactions energy: -2.008 where: short stacking energy: -2.008 Base-Backbone interact. energy: -0.002 local terms energy: -17.720203 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.750 flat angles P-C4'-P energy: -3.374 tors. eta vs tors. theta energy: -0.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -30.721814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.721814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.721814 (E_RNA) where: Base-Base interactions energy: -11.402 where: short stacking energy: -11.402 Base-Backbone interact. energy: -0.000 local terms energy: -19.320170 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.945 flat angles P-C4'-P energy: -2.950 tors. eta vs tors. theta energy: -3.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -21.749312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.749312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.749312 (E_RNA) where: Base-Base interactions energy: -7.246 where: short stacking energy: -7.246 Base-Backbone interact. energy: -0.000 local terms energy: -14.503650 where: bonds (distance) C4'-P energy: -2.581 bonds (distance) P-C4' energy: -4.343 flat angles C4'-P-C4' energy: -3.709 flat angles P-C4'-P energy: -2.266 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: 3, replica: 5 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -27.727068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.727068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.727068 (E_RNA) where: Base-Base interactions energy: -8.253 where: short stacking energy: -8.253 Base-Backbone interact. energy: -0.000 local terms energy: -19.474058 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.104 flat angles C4'-P-C4' energy: -4.416 flat angles P-C4'-P energy: -1.692 tors. eta vs tors. theta energy: -4.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -23.696760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.696760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.696760 (E_RNA) where: Base-Base interactions energy: -6.881 where: short stacking energy: -6.881 Base-Backbone interact. energy: -0.037 local terms energy: -16.778651 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.916 flat angles P-C4'-P energy: -2.158 tors. eta vs tors. theta energy: -1.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -24.415481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.415481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.415481 (E_RNA) where: Base-Base interactions energy: -5.136 where: short stacking energy: -5.136 Base-Backbone interact. energy: -0.000 local terms energy: -19.279574 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -4.084 flat angles P-C4'-P energy: -2.674 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: 6, replica: 1 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -23.412371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.412371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.412371 (E_RNA) where: Base-Base interactions energy: -6.143 where: short stacking energy: -6.143 Base-Backbone interact. energy: -0.000 local terms energy: -17.269573 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -3.518 flat angles C4'-P-C4' energy: -4.712 flat angles P-C4'-P energy: -4.017 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: 7, replica: 7 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -24.412535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.412535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.412535 (E_RNA) where: Base-Base interactions energy: -7.346 where: short stacking energy: -7.346 Base-Backbone interact. energy: -0.013 local terms energy: -17.054309 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -4.116 flat angles P-C4'-P energy: -2.527 tors. eta vs tors. theta energy: -2.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -18.834046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.834046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.834046 (E_RNA) where: Base-Base interactions energy: -3.843 where: short stacking energy: -3.843 Base-Backbone interact. energy: -0.167 local terms energy: -14.824277 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -3.395 flat angles C4'-P-C4' energy: -3.518 flat angles P-C4'-P energy: -2.913 tors. eta vs tors. theta energy: -0.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -23.989426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.989426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.989426 (E_RNA) where: Base-Base interactions energy: -3.604 where: short stacking energy: -3.604 Base-Backbone interact. energy: -0.004 local terms energy: -20.381425 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -4.538 flat angles P-C4'-P energy: -3.816 tors. eta vs tors. theta energy: -2.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -21.082424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.082424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.082424 (E_RNA) where: Base-Base interactions energy: -4.791 where: short stacking energy: -4.791 Base-Backbone interact. energy: -0.000 local terms energy: -16.291105 where: bonds (distance) C4'-P energy: -0.896 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.517 flat angles P-C4'-P energy: -3.128 tors. eta vs tors. theta energy: -3.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -30.091629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.091629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.091629 (E_RNA) where: Base-Base interactions energy: -10.733 where: short stacking energy: -10.733 Base-Backbone interact. energy: -0.000 local terms energy: -19.358292 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.653 flat angles P-C4'-P energy: -3.100 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: 2, replica: 5 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -28.957276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.957276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.957276 (E_RNA) where: Base-Base interactions energy: -10.998 where: short stacking energy: -10.998 Base-Backbone interact. energy: -0.036 local terms energy: -17.923986 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -4.180 flat angles C4'-P-C4' energy: -4.629 flat angles P-C4'-P energy: -1.950 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: 3, replica: 10 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -26.244472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.244472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.244472 (E_RNA) where: Base-Base interactions energy: -7.940 where: short stacking energy: -7.940 Base-Backbone interact. energy: -0.000 local terms energy: -18.303914 where: bonds (distance) C4'-P energy: -2.564 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.434 flat angles P-C4'-P energy: -2.951 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: 4, replica: 2 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -24.918991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.918991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.918991 (E_RNA) where: Base-Base interactions energy: -7.020 where: short stacking energy: -7.281 Base-Backbone interact. energy: -0.872 local terms energy: -17.026988 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.731 flat angles P-C4'-P energy: -3.160 tors. eta vs tors. theta energy: -0.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -24.313945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.313945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.313945 (E_RNA) where: Base-Base interactions energy: -7.676 where: short stacking energy: -7.676 Base-Backbone interact. energy: -0.002 local terms energy: -16.636561 where: bonds (distance) C4'-P energy: -2.900 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.588 flat angles P-C4'-P energy: -2.611 tors. eta vs tors. theta energy: -2.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -25.446363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.446363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.446363 (E_RNA) where: Base-Base interactions energy: -7.946 where: short stacking energy: -7.946 Base-Backbone interact. energy: -0.000 local terms energy: -17.500506 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -3.760 flat angles P-C4'-P energy: -3.277 tors. eta vs tors. theta energy: -2.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -23.651598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.651598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.651598 (E_RNA) where: Base-Base interactions energy: -7.439 where: short stacking energy: -7.439 Base-Backbone interact. energy: -0.000 local terms energy: -16.212864 where: bonds (distance) C4'-P energy: -3.104 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -4.455 flat angles P-C4'-P energy: -2.754 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: 8, replica: 4 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -23.083841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.083841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.083841 (E_RNA) where: Base-Base interactions energy: -4.221 where: short stacking energy: -4.221 Base-Backbone interact. energy: -0.042 local terms energy: -18.820912 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.564 flat angles P-C4'-P energy: -2.487 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: 9, replica: 9 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -21.381372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.381372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.381372 (E_RNA) where: Base-Base interactions energy: -7.768 where: short stacking energy: -7.768 Base-Backbone interact. energy: -0.000 local terms energy: -13.613797 where: bonds (distance) C4'-P energy: -0.937 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.150 flat angles P-C4'-P energy: -2.347 tors. eta vs tors. theta energy: -1.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -21.779365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.779365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.779365 (E_RNA) where: Base-Base interactions energy: -6.943 where: short stacking energy: -6.943 Base-Backbone interact. energy: -0.004 local terms energy: -14.832271 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -4.485 flat angles P-C4'-P energy: -0.873 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: 1, replica: 5 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -25.111548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.111548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.111548 (E_RNA) where: Base-Base interactions energy: -7.208 where: short stacking energy: -7.208 Base-Backbone interact. energy: -0.001 local terms energy: -17.903176 where: bonds (distance) C4'-P energy: -3.566 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -1.861 flat angles P-C4'-P energy: -2.759 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: 6 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -31.766656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.766656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.766656 (E_RNA) where: Base-Base interactions energy: -11.296 where: short stacking energy: -11.296 Base-Backbone interact. energy: -0.000 local terms energy: -20.470452 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -3.663 flat angles P-C4'-P energy: -3.299 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: 3, replica: 2 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -23.177498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.177498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.177498 (E_RNA) where: Base-Base interactions energy: -8.324 where: short stacking energy: -8.324 Base-Backbone interact. energy: -0.001 local terms energy: -14.852571 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -2.745 flat angles P-C4'-P energy: -3.524 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: 4, replica: 10 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -25.553203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.553203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.553203 (E_RNA) where: Base-Base interactions energy: -7.044 where: short stacking energy: -7.044 Base-Backbone interact. energy: -0.000 local terms energy: -18.509143 where: bonds (distance) C4'-P energy: -2.518 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.367 flat angles P-C4'-P energy: -3.086 tors. eta vs tors. theta energy: -4.417 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: 5, replica: 7 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -23.135397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.135397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.135397 (E_RNA) where: Base-Base interactions energy: -8.409 where: short stacking energy: -8.409 Base-Backbone interact. energy: -0.000 local terms energy: -14.726350 where: bonds (distance) C4'-P energy: 0.011 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.962 flat angles P-C4'-P energy: -3.469 tors. eta vs tors. theta energy: -1.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -24.730124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.730124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.730124 (E_RNA) where: Base-Base interactions energy: -8.363 where: short stacking energy: -8.363 Base-Backbone interact. energy: -0.062 local terms energy: -16.304916 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -4.279 flat angles P-C4'-P energy: -2.511 tors. eta vs tors. theta energy: -1.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -26.660332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.660332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.660332 (E_RNA) where: Base-Base interactions energy: -6.358 where: short stacking energy: -6.358 Base-Backbone interact. energy: -0.000 local terms energy: -20.301886 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.379 flat angles P-C4'-P energy: -3.428 tors. eta vs tors. theta energy: -4.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -20.534430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.534430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.534430 (E_RNA) where: Base-Base interactions energy: -3.925 where: short stacking energy: -3.925 Base-Backbone interact. energy: -0.000 local terms energy: -16.609509 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.604 flat angles P-C4'-P energy: -2.714 tors. eta vs tors. theta energy: -0.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -21.003157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.003157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.003157 (E_RNA) where: Base-Base interactions energy: -2.948 where: short stacking energy: -2.948 Base-Backbone interact. energy: -0.000 local terms energy: -18.055415 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.915 flat angles P-C4'-P energy: -3.376 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: 10, replica: 9 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -19.838851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.838851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.838851 (E_RNA) where: Base-Base interactions energy: -7.235 where: short stacking energy: -7.235 Base-Backbone interact. energy: -0.003 local terms energy: -12.600726 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -1.995 flat angles P-C4'-P energy: -1.236 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: 1, replica: 5 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -29.656378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.656378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.656378 (E_RNA) where: Base-Base interactions energy: -10.711 where: short stacking energy: -10.711 Base-Backbone interact. energy: -0.000 local terms energy: -18.945095 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -3.785 flat angles P-C4'-P energy: -3.189 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: 2, replica: 6 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -24.817063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.817063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.817063 (E_RNA) where: Base-Base interactions energy: -7.409 where: short stacking energy: -7.409 Base-Backbone interact. energy: -0.004 local terms energy: -17.404376 where: bonds (distance) C4'-P energy: -2.797 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.559 flat angles P-C4'-P energy: -3.054 tors. eta vs tors. theta energy: -1.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -24.930731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.930731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.930731 (E_RNA) where: Base-Base interactions energy: -8.139 where: short stacking energy: -8.139 Base-Backbone interact. energy: -0.095 local terms energy: -16.696348 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.199 flat angles P-C4'-P energy: -2.497 tors. eta vs tors. theta energy: -1.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -26.401965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.401965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.401965 (E_RNA) where: Base-Base interactions energy: -8.117 where: short stacking energy: -8.117 Base-Backbone interact. energy: -0.000 local terms energy: -18.285182 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.307 flat angles P-C4'-P energy: -2.436 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: 5, replica: 10 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -23.121415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.121415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.121415 (E_RNA) where: Base-Base interactions energy: -7.311 where: short stacking energy: -7.311 Base-Backbone interact. energy: -0.000 local terms energy: -15.810479 where: bonds (distance) C4'-P energy: -3.301 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.962 flat angles P-C4'-P energy: -2.461 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: 4 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -25.311666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.311666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.311666 (E_RNA) where: Base-Base interactions energy: -5.624 where: short stacking energy: -5.624 Base-Backbone interact. energy: -0.000 local terms energy: -19.687497 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.839 flat angles P-C4'-P energy: -1.927 tors. eta vs tors. theta energy: -4.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -23.369639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.369639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.369639 (E_RNA) where: Base-Base interactions energy: -7.443 where: short stacking energy: -7.443 Base-Backbone interact. energy: -0.011 local terms energy: -15.915744 where: bonds (distance) C4'-P energy: -4.341 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -2.234 flat angles P-C4'-P energy: -1.485 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: 8, replica: 8 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -22.773198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.773198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.773198 (E_RNA) where: Base-Base interactions energy: -7.126 where: short stacking energy: -7.126 Base-Backbone interact. energy: -0.000 local terms energy: -15.646886 where: bonds (distance) C4'-P energy: -3.152 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.041 flat angles P-C4'-P energy: -2.859 tors. eta vs tors. theta energy: -1.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -20.824137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.824137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.824137 (E_RNA) where: Base-Base interactions energy: -3.328 where: short stacking energy: -3.500 Base-Backbone interact. energy: -0.016 local terms energy: -17.480372 where: bonds (distance) C4'-P energy: -3.947 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -3.400 flat angles P-C4'-P energy: -2.839 tors. eta vs tors. theta energy: -2.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -22.449678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.449678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.449678 (E_RNA) where: Base-Base interactions energy: -7.236 where: short stacking energy: -7.236 Base-Backbone interact. energy: -0.000 local terms energy: -15.213775 where: bonds (distance) C4'-P energy: -3.301 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.043 flat angles P-C4'-P energy: -3.105 tors. eta vs tors. theta energy: -0.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -26.770463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.770463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.770463 (E_RNA) where: Base-Base interactions energy: -6.993 where: short stacking energy: -6.993 Base-Backbone interact. energy: -0.000 local terms energy: -19.777435 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.606 flat angles P-C4'-P energy: -3.524 tors. eta vs tors. theta energy: -3.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -26.301643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.301643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.301643 (E_RNA) where: Base-Base interactions energy: -7.886 where: short stacking energy: -7.886 Base-Backbone interact. energy: -0.000 local terms energy: -18.415625 where: bonds (distance) C4'-P energy: -2.668 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.559 flat angles P-C4'-P energy: -3.093 tors. eta vs tors. theta energy: -2.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -25.494787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.494787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.494787 (E_RNA) where: Base-Base interactions energy: -6.317 where: short stacking energy: -6.317 Base-Backbone interact. energy: -0.001 local terms energy: -19.177579 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.786 flat angles P-C4'-P energy: -3.203 tors. eta vs tors. theta energy: -2.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -24.578414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.578414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.578414 (E_RNA) where: Base-Base interactions energy: -6.540 where: short stacking energy: -6.540 Base-Backbone interact. energy: -0.000 local terms energy: -18.038183 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -3.553 flat angles C4'-P-C4' energy: -3.869 flat angles P-C4'-P energy: -3.501 tors. eta vs tors. theta energy: -3.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -23.259501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.259501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.259501 (E_RNA) where: Base-Base interactions energy: -6.763 where: short stacking energy: -6.763 Base-Backbone interact. energy: -0.079 local terms energy: -16.417172 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.152 flat angles P-C4'-P energy: -3.567 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: 10 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -21.581949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.581949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.581949 (E_RNA) where: Base-Base interactions energy: -5.664 where: short stacking energy: -5.664 Base-Backbone interact. energy: -0.000 local terms energy: -15.918206 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -2.707 flat angles P-C4'-P energy: -1.929 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: 7, replica: 8 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -23.710790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.710790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.710790 (E_RNA) where: Base-Base interactions energy: -7.311 where: short stacking energy: -7.311 Base-Backbone interact. energy: -0.000 local terms energy: -16.399716 where: bonds (distance) C4'-P energy: -3.045 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.682 flat angles P-C4'-P energy: -1.762 tors. eta vs tors. theta energy: -2.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -24.151263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.151263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.151263 (E_RNA) where: Base-Base interactions energy: -6.130 where: short stacking energy: -6.130 Base-Backbone interact. energy: 0.126 local terms energy: -18.146908 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -3.694 flat angles P-C4'-P energy: -3.709 tors. eta vs tors. theta energy: -2.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -22.813231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.813231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.813231 (E_RNA) where: Base-Base interactions energy: -5.093 where: short stacking energy: -5.093 Base-Backbone interact. energy: -0.001 local terms energy: -17.719288 where: bonds (distance) C4'-P energy: -2.900 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.130 flat angles P-C4'-P energy: -3.368 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: 10, replica: 1 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -19.479416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.479416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.479416 (E_RNA) where: Base-Base interactions energy: -3.686 where: short stacking energy: -3.686 Base-Backbone interact. energy: -0.000 local terms energy: -15.793787 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.054 flat angles C4'-P-C4' energy: -2.578 flat angles P-C4'-P energy: -1.911 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: 1, replica: 5 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -27.238886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.238886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.238886 (E_RNA) where: Base-Base interactions energy: -9.973 where: short stacking energy: -9.973 Base-Backbone interact. energy: -0.000 local terms energy: -17.266362 where: bonds (distance) C4'-P energy: -3.273 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.360 flat angles P-C4'-P energy: -3.306 tors. eta vs tors. theta energy: -1.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -23.680992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.680992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.680992 (E_RNA) where: Base-Base interactions energy: -9.478 where: short stacking energy: -9.478 Base-Backbone interact. energy: -0.004 local terms energy: -14.198267 where: bonds (distance) C4'-P energy: -2.539 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.451 flat angles P-C4'-P energy: -0.743 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: 3, replica: 7 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -25.483791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.483791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.483791 (E_RNA) where: Base-Base interactions energy: -7.927 where: short stacking energy: -7.927 Base-Backbone interact. energy: -1.054 local terms energy: -16.502853 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -3.116 flat angles C4'-P-C4' energy: -3.708 flat angles P-C4'-P energy: -3.367 tors. eta vs tors. theta energy: -2.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -24.151140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.151140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.151140 (E_RNA) where: Base-Base interactions energy: -5.917 where: short stacking energy: -5.917 Base-Backbone interact. energy: -0.000 local terms energy: -18.234099 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.526 flat angles P-C4'-P energy: -2.925 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: 2 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -22.809987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.809987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.809987 (E_RNA) where: Base-Base interactions energy: -7.085 where: short stacking energy: -7.085 Base-Backbone interact. energy: -0.000 local terms energy: -15.724798 where: bonds (distance) C4'-P energy: -2.804 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.712 flat angles P-C4'-P energy: -2.668 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: 6, replica: 8 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -25.914575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.914575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.914575 (E_RNA) where: Base-Base interactions energy: -8.736 where: short stacking energy: -8.736 Base-Backbone interact. energy: -0.000 local terms energy: -17.178147 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -4.082 flat angles C4'-P-C4' energy: -2.544 flat angles P-C4'-P energy: -2.176 tors. eta vs tors. theta energy: -4.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -21.820519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.820519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.820519 (E_RNA) where: Base-Base interactions energy: -4.960 where: short stacking energy: -4.960 Base-Backbone interact. energy: -0.000 local terms energy: -16.860917 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -2.672 flat angles P-C4'-P energy: -1.825 tors. eta vs tors. theta energy: -2.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -24.058648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.058648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.058648 (E_RNA) where: Base-Base interactions energy: -7.356 where: short stacking energy: -7.356 Base-Backbone interact. energy: -0.001 local terms energy: -16.701977 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.413 flat angles P-C4'-P energy: -2.302 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: 3 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -21.301733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.301733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.301733 (E_RNA) where: Base-Base interactions energy: -4.821 where: short stacking energy: -4.962 Base-Backbone interact. energy: -0.000 local terms energy: -16.480806 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -3.011 flat angles C4'-P-C4' energy: -4.281 flat angles P-C4'-P energy: -3.174 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: 1 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -22.461864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.461864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.461864 (E_RNA) where: Base-Base interactions energy: -7.614 where: short stacking energy: -7.614 Base-Backbone interact. energy: -0.067 local terms energy: -14.780611 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -2.801 flat angles P-C4'-P energy: -3.056 tors. eta vs tors. theta energy: -0.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -31.082512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.082512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.082512 (E_RNA) where: Base-Base interactions energy: -11.639 where: short stacking energy: -11.639 Base-Backbone interact. energy: -0.000 local terms energy: -19.443151 where: bonds (distance) C4'-P energy: -3.029 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.819 flat angles P-C4'-P energy: -3.265 tors. eta vs tors. theta energy: -3.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -26.249392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.249392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.249392 (E_RNA) where: Base-Base interactions energy: -8.478 where: short stacking energy: -8.478 Base-Backbone interact. energy: -0.000 local terms energy: -17.771858 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -3.450 flat angles C4'-P-C4' energy: -4.152 flat angles P-C4'-P energy: -3.143 tors. eta vs tors. theta energy: -2.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -27.236459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.236459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.236459 (E_RNA) where: Base-Base interactions energy: -10.572 where: short stacking energy: -10.572 Base-Backbone interact. energy: -0.001 local terms energy: -16.663751 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -3.336 flat angles C4'-P-C4' energy: -3.942 flat angles P-C4'-P energy: -3.339 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: 4, replica: 7 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -29.942663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.942663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.942663 (E_RNA) where: Base-Base interactions energy: -9.083 where: short stacking energy: -9.083 Base-Backbone interact. energy: -0.000 local terms energy: -20.859384 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.958 flat angles P-C4'-P energy: -3.505 tors. eta vs tors. theta energy: -4.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -21.404355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.404355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.404355 (E_RNA) where: Base-Base interactions energy: -6.122 where: short stacking energy: -6.185 Base-Backbone interact. energy: -0.016 local terms energy: -15.265504 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -3.339 flat angles C4'-P-C4' energy: -4.521 flat angles P-C4'-P energy: -3.106 tors. eta vs tors. theta energy: -0.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -20.819942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.819942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.819942 (E_RNA) where: Base-Base interactions energy: -6.276 where: short stacking energy: -6.276 Base-Backbone interact. energy: -0.100 local terms energy: -14.443539 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -3.360 flat angles C4'-P-C4' energy: -4.624 flat angles P-C4'-P energy: -3.492 tors. eta vs tors. theta energy: 0.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -22.383072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.383072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.383072 (E_RNA) where: Base-Base interactions energy: -7.523 where: short stacking energy: -7.523 Base-Backbone interact. energy: -0.144 local terms energy: -14.715662 where: bonds (distance) C4'-P energy: -0.532 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.046 flat angles P-C4'-P energy: -3.357 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: 8, replica: 10 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -21.697386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.697386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.697386 (E_RNA) where: Base-Base interactions energy: -3.954 where: short stacking energy: -3.954 Base-Backbone interact. energy: -0.386 local terms energy: -17.357814 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.398 flat angles P-C4'-P energy: -2.605 tors. eta vs tors. theta energy: -2.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -24.408591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.408591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.408591 (E_RNA) where: Base-Base interactions energy: -6.568 where: short stacking energy: -6.568 Base-Backbone interact. energy: -0.000 local terms energy: -17.840174 where: bonds (distance) C4'-P energy: -1.882 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.068 flat angles P-C4'-P energy: -2.753 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: 10, replica: 1 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -22.494507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.494507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.494507 (E_RNA) where: Base-Base interactions energy: -7.915 where: short stacking energy: -7.915 Base-Backbone interact. energy: -0.093 local terms energy: -14.486214 where: bonds (distance) C4'-P energy: -2.830 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.229 flat angles P-C4'-P energy: -2.944 tors. eta vs tors. theta energy: -0.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -33.086909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.086909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.086909 (E_RNA) where: Base-Base interactions energy: -12.806 where: short stacking energy: -12.806 Base-Backbone interact. energy: -0.000 local terms energy: -20.280822 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.719 flat angles P-C4'-P energy: -2.568 tors. eta vs tors. theta energy: -4.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -25.841066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.841066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.841066 (E_RNA) where: Base-Base interactions energy: -6.671 where: short stacking energy: -6.671 Base-Backbone interact. energy: -0.000 local terms energy: -19.170510 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -4.413 flat angles C4'-P-C4' energy: -4.750 flat angles P-C4'-P energy: -3.389 tors. eta vs tors. theta energy: -2.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -29.409934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.409934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.409934 (E_RNA) where: Base-Base interactions energy: -11.459 where: short stacking energy: -11.459 Base-Backbone interact. energy: 0.325 local terms energy: -18.275741 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -2.820 flat angles C4'-P-C4' energy: -4.046 flat angles P-C4'-P energy: -3.807 tors. eta vs tors. theta energy: -3.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -26.994300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.994300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.994300 (E_RNA) where: Base-Base interactions energy: -8.107 where: short stacking energy: -8.107 Base-Backbone interact. energy: -0.015 local terms energy: -18.872364 where: bonds (distance) C4'-P energy: -3.008 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.659 flat angles P-C4'-P energy: -3.862 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: 5, replica: 7 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -25.956251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.956251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.956251 (E_RNA) where: Base-Base interactions energy: -7.716 where: short stacking energy: -7.716 Base-Backbone interact. energy: -0.000 local terms energy: -18.240293 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.042 flat angles P-C4'-P energy: -2.320 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: 6, replica: 9 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -24.249266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.249266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.249266 (E_RNA) where: Base-Base interactions energy: -4.787 where: short stacking energy: -4.787 Base-Backbone interact. energy: -0.030 local terms energy: -19.432166 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.421 flat angles P-C4'-P energy: -2.831 tors. eta vs tors. theta energy: -3.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -21.585742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.585742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.585742 (E_RNA) where: Base-Base interactions energy: -9.016 where: short stacking energy: -9.016 Base-Backbone interact. energy: -0.000 local terms energy: -12.569642 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -2.416 flat angles P-C4'-P energy: 0.641 tors. eta vs tors. theta energy: -1.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -24.878340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.878340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.878340 (E_RNA) where: Base-Base interactions energy: -6.705 where: short stacking energy: -6.705 Base-Backbone interact. energy: -0.000 local terms energy: -18.173800 where: bonds (distance) C4'-P energy: -3.479 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.035 flat angles P-C4'-P energy: -3.396 tors. eta vs tors. theta energy: -1.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -21.953653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.953653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.953653 (E_RNA) where: Base-Base interactions energy: -5.940 where: short stacking energy: -5.940 Base-Backbone interact. energy: -0.000 local terms energy: -16.013722 where: bonds (distance) C4'-P energy: -2.680 bonds (distance) P-C4' energy: -4.395 flat angles C4'-P-C4' energy: -3.692 flat angles P-C4'-P energy: -1.578 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: 10, replica: 1 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -22.854408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.854408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.854408 (E_RNA) where: Base-Base interactions energy: -6.952 where: short stacking energy: -6.952 Base-Backbone interact. energy: -0.000 local terms energy: -15.902741 where: bonds (distance) C4'-P energy: -2.415 bonds (distance) P-C4' energy: -3.128 flat angles C4'-P-C4' energy: -3.781 flat angles P-C4'-P energy: -3.674 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: 1, replica: 4 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -30.593468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.593468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.593468 (E_RNA) where: Base-Base interactions energy: -11.516 where: short stacking energy: -11.516 Base-Backbone interact. energy: -0.008 local terms energy: -19.070061 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.438 flat angles P-C4'-P energy: -3.622 tors. eta vs tors. theta energy: -2.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -26.373101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.373101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.373101 (E_RNA) where: Base-Base interactions energy: -7.225 where: short stacking energy: -7.225 Base-Backbone interact. energy: -0.094 local terms energy: -19.054958 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.407 flat angles P-C4'-P energy: -3.843 tors. eta vs tors. theta energy: -1.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -24.401677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.401677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.401677 (E_RNA) where: Base-Base interactions energy: -7.484 where: short stacking energy: -7.484 Base-Backbone interact. energy: -0.078 local terms energy: -16.840372 where: bonds (distance) C4'-P energy: -3.397 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -4.025 flat angles P-C4'-P energy: -2.767 tors. eta vs tors. theta energy: -1.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -25.957670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.957670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.957670 (E_RNA) where: Base-Base interactions energy: -6.884 where: short stacking energy: -6.884 Base-Backbone interact. energy: -0.000 local terms energy: -19.073546 where: bonds (distance) C4'-P energy: -3.414 bonds (distance) P-C4' energy: -5.104 flat angles C4'-P-C4' energy: -4.383 flat angles P-C4'-P energy: -2.561 tors. eta vs tors. theta energy: -3.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -22.606224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.606224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.606224 (E_RNA) where: Base-Base interactions energy: -6.687 where: short stacking energy: -6.687 Base-Backbone interact. energy: -0.003 local terms energy: -15.915476 where: bonds (distance) C4'-P energy: -4.009 bonds (distance) P-C4' energy: -3.029 flat angles C4'-P-C4' energy: -3.273 flat angles P-C4'-P energy: -3.769 tors. eta vs tors. theta energy: -1.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -20.827902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.827902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.827902 (E_RNA) where: Base-Base interactions energy: -2.474 where: short stacking energy: -2.474 Base-Backbone interact. energy: -0.000 local terms energy: -18.353694 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.452 flat angles P-C4'-P energy: -2.587 tors. eta vs tors. theta energy: -1.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -24.038144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.038144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.038144 (E_RNA) where: Base-Base interactions energy: -8.252 where: short stacking energy: -8.252 Base-Backbone interact. energy: -0.000 local terms energy: -15.786462 where: bonds (distance) C4'-P energy: -3.861 bonds (distance) P-C4' energy: -3.984 flat angles C4'-P-C4' energy: -4.367 flat angles P-C4'-P energy: -2.845 tors. eta vs tors. theta energy: -0.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -20.532184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.532184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.532184 (E_RNA) where: Base-Base interactions energy: -4.134 where: short stacking energy: -4.134 Base-Backbone interact. energy: -0.000 local terms energy: -16.398333 where: bonds (distance) C4'-P energy: -3.202 bonds (distance) P-C4' energy: -3.849 flat angles C4'-P-C4' energy: -3.515 flat angles P-C4'-P energy: -3.226 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: 9, replica: 1 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -23.318816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.318816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.318816 (E_RNA) where: Base-Base interactions energy: -8.752 where: short stacking energy: -8.752 Base-Backbone interact. energy: -0.011 local terms energy: -14.555655 where: bonds (distance) C4'-P energy: -2.680 bonds (distance) P-C4' energy: -3.096 flat angles C4'-P-C4' energy: -4.360 flat angles P-C4'-P energy: -3.240 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: 10 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -21.081484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.081484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.081484 (E_RNA) where: Base-Base interactions energy: -3.723 where: short stacking energy: -3.723 Base-Backbone interact. energy: -0.003 local terms energy: -17.356145 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.519 flat angles P-C4'-P energy: -3.285 tors. eta vs tors. theta energy: -1.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -29.808292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.808292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.808292 (E_RNA) where: Base-Base interactions energy: -10.538 where: short stacking energy: -10.538 Base-Backbone interact. energy: -0.865 local terms energy: -18.405342 where: bonds (distance) C4'-P energy: -3.202 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.401 flat angles P-C4'-P energy: -3.038 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: 2, replica: 8 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -25.460579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.460579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.460579 (E_RNA) where: Base-Base interactions energy: -6.873 where: short stacking energy: -6.873 Base-Backbone interact. energy: -0.000 local terms energy: -18.587357 where: bonds (distance) C4'-P energy: -4.270 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -4.681 flat angles P-C4'-P energy: -3.113 tors. eta vs tors. theta energy: -1.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -26.408324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.408324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.408324 (E_RNA) where: Base-Base interactions energy: -6.263 where: short stacking energy: -6.263 Base-Backbone interact. energy: -0.000 local terms energy: -20.145656 where: bonds (distance) C4'-P energy: -3.673 bonds (distance) P-C4' energy: -4.420 flat angles C4'-P-C4' energy: -4.294 flat angles P-C4'-P energy: -3.644 tors. eta vs tors. theta energy: -4.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -22.697886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.697886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.697886 (E_RNA) where: Base-Base interactions energy: -6.535 where: short stacking energy: -6.535 Base-Backbone interact. energy: -0.000 local terms energy: -16.162186 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.411 flat angles P-C4'-P energy: -2.505 tors. eta vs tors. theta energy: -0.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -24.427007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.427007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.427007 (E_RNA) where: Base-Base interactions energy: -7.362 where: short stacking energy: -8.762 Base-Backbone interact. energy: -0.008 local terms energy: -17.057609 where: bonds (distance) C4'-P energy: -3.273 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.466 flat angles P-C4'-P energy: -3.135 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: 6, replica: 3 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -22.370909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.370909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.370909 (E_RNA) where: Base-Base interactions energy: -4.158 where: short stacking energy: -4.158 Base-Backbone interact. energy: -0.000 local terms energy: -18.213097 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.756 flat angles P-C4'-P energy: -3.229 tors. eta vs tors. theta energy: -1.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -19.341313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.341313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.341313 (E_RNA) where: Base-Base interactions energy: -3.899 where: short stacking energy: -3.999 Base-Backbone interact. energy: -0.111 local terms energy: -15.330734 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -3.628 flat angles C4'-P-C4' energy: -4.184 flat angles P-C4'-P energy: -2.704 tors. eta vs tors. theta energy: -0.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -26.088891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.088891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.088891 (E_RNA) where: Base-Base interactions energy: -5.876 where: short stacking energy: -5.940 Base-Backbone interact. energy: -0.000 local terms energy: -20.212545 where: bonds (distance) C4'-P energy: -3.202 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.028 flat angles P-C4'-P energy: -3.362 tors. eta vs tors. theta energy: -4.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -23.884122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.884122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.884122 (E_RNA) where: Base-Base interactions energy: -5.285 where: short stacking energy: -5.285 Base-Backbone interact. energy: -0.000 local terms energy: -18.599069 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.490 flat angles P-C4'-P energy: -2.912 tors. eta vs tors. theta energy: -2.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -22.813575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.813575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.813575 (E_RNA) where: Base-Base interactions energy: -4.950 where: short stacking energy: -4.950 Base-Backbone interact. energy: -0.000 local terms energy: -17.863172 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.871 flat angles C4'-P-C4' energy: -2.000 flat angles P-C4'-P energy: -3.488 tors. eta vs tors. theta energy: -3.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -31.347172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.347172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.347172 (E_RNA) where: Base-Base interactions energy: -11.313 where: short stacking energy: -11.313 Base-Backbone interact. energy: -0.000 local terms energy: -20.034586 where: bonds (distance) C4'-P energy: -3.161 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.382 flat angles P-C4'-P energy: -2.521 tors. eta vs tors. theta energy: -5.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -30.283256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.283256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.283256 (E_RNA) where: Base-Base interactions energy: -10.202 where: short stacking energy: -10.202 Base-Backbone interact. energy: -0.005 local terms energy: -20.076273 where: bonds (distance) C4'-P energy: -3.397 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.470 flat angles P-C4'-P energy: -3.823 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: 9 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -27.401966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.401966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.401966 (E_RNA) where: Base-Base interactions energy: -8.345 where: short stacking energy: -8.345 Base-Backbone interact. energy: -0.000 local terms energy: -19.057284 where: bonds (distance) C4'-P energy: -3.947 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.093 flat angles P-C4'-P energy: -4.033 tors. eta vs tors. theta energy: -3.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -29.199706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.199706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.199706 (E_RNA) where: Base-Base interactions energy: -10.839 where: short stacking energy: -10.839 Base-Backbone interact. energy: -0.000 local terms energy: -18.361077 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.432 flat angles P-C4'-P energy: -2.718 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: 3 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -26.960206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.960206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.960206 (E_RNA) where: Base-Base interactions energy: -9.066 where: short stacking energy: -9.066 Base-Backbone interact. energy: -0.000 local terms energy: -17.893977 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -2.979 flat angles P-C4'-P energy: -2.676 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: 6, replica: 5 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -24.794853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.794853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.794853 (E_RNA) where: Base-Base interactions energy: -7.260 where: short stacking energy: -7.260 Base-Backbone interact. energy: -0.096 local terms energy: -17.438540 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -4.152 flat angles C4'-P-C4' energy: -2.077 flat angles P-C4'-P energy: -4.042 tors. eta vs tors. theta energy: -2.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -23.991239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.991239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.991239 (E_RNA) where: Base-Base interactions energy: -6.075 where: short stacking energy: -6.075 Base-Backbone interact. energy: -0.000 local terms energy: -17.916133 where: bonds (distance) C4'-P energy: -4.233 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.698 flat angles P-C4'-P energy: -2.259 tors. eta vs tors. theta energy: -1.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -24.019907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.019907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.019907 (E_RNA) where: Base-Base interactions energy: -6.550 where: short stacking energy: -6.550 Base-Backbone interact. energy: -0.000 local terms energy: -17.469983 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -3.981 flat angles C4'-P-C4' energy: -3.896 flat angles P-C4'-P energy: -2.719 tors. eta vs tors. theta energy: -2.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -25.697484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.697484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.697484 (E_RNA) where: Base-Base interactions energy: -8.662 where: short stacking energy: -8.662 Base-Backbone interact. energy: -0.000 local terms energy: -17.035376 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -3.748 flat angles C4'-P-C4' energy: -3.201 flat angles P-C4'-P energy: -1.980 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: 10, replica: 2 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -21.700551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.700551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.700551 (E_RNA) where: Base-Base interactions energy: -6.451 where: short stacking energy: -6.451 Base-Backbone interact. energy: -0.000 local terms energy: -15.249253 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -3.011 flat angles C4'-P-C4' energy: -3.931 flat angles P-C4'-P energy: -3.434 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: 1, replica: 8 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -23.753558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.753558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.753558 (E_RNA) where: Base-Base interactions energy: -7.971 where: short stacking energy: -7.971 Base-Backbone interact. energy: -0.000 local terms energy: -15.782451 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.574 flat angles P-C4'-P energy: -3.682 tors. eta vs tors. theta energy: 0.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -26.411666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.411666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.411666 (E_RNA) where: Base-Base interactions energy: -7.980 where: short stacking energy: -7.980 Base-Backbone interact. energy: -0.005 local terms energy: -18.426821 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -3.969 flat angles C4'-P-C4' energy: -4.345 flat angles P-C4'-P energy: -3.957 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: 3, replica: 4 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -28.562013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.562013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.562013 (E_RNA) where: Base-Base interactions energy: -8.426 where: short stacking energy: -8.426 Base-Backbone interact. energy: -0.000 local terms energy: -20.135606 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.379 flat angles P-C4'-P energy: -3.696 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: 4, replica: 3 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -26.200819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.200819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.200819 (E_RNA) where: Base-Base interactions energy: -10.110 where: short stacking energy: -10.110 Base-Backbone interact. energy: -0.000 local terms energy: -16.090727 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -2.448 flat angles C4'-P-C4' energy: -4.157 flat angles P-C4'-P energy: -1.921 tors. eta vs tors. theta energy: -3.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -25.197307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.197307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.197307 (E_RNA) where: Base-Base interactions energy: -6.796 where: short stacking energy: -6.796 Base-Backbone interact. energy: -0.001 local terms energy: -18.400206 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -3.602 flat angles P-C4'-P energy: -3.157 tors. eta vs tors. theta energy: -2.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -26.122170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.122170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.122170 (E_RNA) where: Base-Base interactions energy: -9.712 where: short stacking energy: -9.712 Base-Backbone interact. energy: -0.000 local terms energy: -16.410363 where: bonds (distance) C4'-P energy: -3.566 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -1.859 flat angles P-C4'-P energy: -2.030 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: 7, replica: 5 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -21.335142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.335142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.335142 (E_RNA) where: Base-Base interactions energy: -4.256 where: short stacking energy: -4.256 Base-Backbone interact. energy: -0.000 local terms energy: -17.079158 where: bonds (distance) C4'-P energy: -3.036 bonds (distance) P-C4' energy: -4.051 flat angles C4'-P-C4' energy: -4.254 flat angles P-C4'-P energy: -3.437 tors. eta vs tors. theta energy: -2.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -19.142380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.142380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.142380 (E_RNA) where: Base-Base interactions energy: -4.436 where: short stacking energy: -4.436 Base-Backbone interact. energy: -0.001 local terms energy: -14.705542 where: bonds (distance) C4'-P energy: -3.442 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.444 flat angles P-C4'-P energy: -1.938 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: 9, replica: 1 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -18.288809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.288809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.288809 (E_RNA) where: Base-Base interactions energy: -6.005 where: short stacking energy: -6.005 Base-Backbone interact. energy: -0.000 local terms energy: -12.284134 where: bonds (distance) C4'-P energy: -1.376 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.482 flat angles P-C4'-P energy: -3.102 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: 2 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -22.837377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.837377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.837377 (E_RNA) where: Base-Base interactions energy: -4.711 where: short stacking energy: -4.711 Base-Backbone interact. energy: -0.002 local terms energy: -18.124297 where: bonds (distance) C4'-P energy: -3.673 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.744 flat angles P-C4'-P energy: -3.643 tors. eta vs tors. theta energy: -1.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -29.884315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.884315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.884315 (E_RNA) where: Base-Base interactions energy: -10.494 where: short stacking energy: -10.494 Base-Backbone interact. energy: -0.000 local terms energy: -19.389774 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -4.106 flat angles C4'-P-C4' energy: -4.129 flat angles P-C4'-P energy: -3.739 tors. eta vs tors. theta energy: -3.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -25.260958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.260958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.260958 (E_RNA) where: Base-Base interactions energy: -6.694 where: short stacking energy: -6.694 Base-Backbone interact. energy: -0.001 local terms energy: -18.565995 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -4.466 flat angles P-C4'-P energy: -3.731 tors. eta vs tors. theta energy: -2.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -24.938696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.938696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.938696 (E_RNA) where: Base-Base interactions energy: -8.515 where: short stacking energy: -8.515 Base-Backbone interact. energy: -0.009 local terms energy: -16.415049 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.508 flat angles P-C4'-P energy: -3.008 tors. eta vs tors. theta energy: -0.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -24.564738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.564738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.564738 (E_RNA) where: Base-Base interactions energy: -7.156 where: short stacking energy: -7.156 Base-Backbone interact. energy: -0.000 local terms energy: -17.408438 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.621 flat angles P-C4'-P energy: -3.795 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: 5, replica: 7 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -23.708831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.708831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.708831 (E_RNA) where: Base-Base interactions energy: -7.645 where: short stacking energy: -7.645 Base-Backbone interact. energy: -0.082 local terms energy: -15.981821 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -4.666 flat angles P-C4'-P energy: -3.110 tors. eta vs tors. theta energy: -0.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -25.022808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.022808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.022808 (E_RNA) where: Base-Base interactions energy: -8.083 where: short stacking energy: -8.083 Base-Backbone interact. energy: -1.140 local terms energy: -15.799198 where: bonds (distance) C4'-P energy: -2.913 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -3.366 flat angles P-C4'-P energy: -2.936 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: 7, replica: 10 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -20.666039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.666039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.666039 (E_RNA) where: Base-Base interactions energy: -4.098 where: short stacking energy: -4.098 Base-Backbone interact. energy: -0.038 local terms energy: -16.529906 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -3.318 flat angles P-C4'-P energy: -2.371 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: 8, replica: 5 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -22.243742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.243742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.243742 (E_RNA) where: Base-Base interactions energy: -6.334 where: short stacking energy: -6.334 Base-Backbone interact. energy: -0.000 local terms energy: -15.909225 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -2.555 flat angles P-C4'-P energy: -3.939 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: 9, replica: 2 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -23.103709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.103709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.103709 (E_RNA) where: Base-Base interactions energy: -7.939 where: short stacking energy: -7.939 Base-Backbone interact. energy: -0.007 local terms energy: -15.157773 where: bonds (distance) C4'-P energy: -0.415 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.549 flat angles P-C4'-P energy: -3.086 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: 10, replica: 1 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -21.721041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.721041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.721041 (E_RNA) where: Base-Base interactions energy: -4.531 where: short stacking energy: -4.531 Base-Backbone interact. energy: -0.000 local terms energy: -17.189586 where: bonds (distance) C4'-P energy: -3.335 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.803 flat angles P-C4'-P energy: -2.179 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: 1, replica: 9 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -25.013206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.013206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.013206 (E_RNA) where: Base-Base interactions energy: -8.126 where: short stacking energy: -8.126 Base-Backbone interact. energy: -0.024 local terms energy: -16.863239 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.487 flat angles P-C4'-P energy: -2.395 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: 2, replica: 3 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -29.820058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.820058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.820058 (E_RNA) where: Base-Base interactions energy: -11.906 where: short stacking energy: -11.906 Base-Backbone interact. energy: 0.675 local terms energy: -18.588774 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.156 flat angles P-C4'-P energy: -3.348 tors. eta vs tors. theta energy: -3.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -24.441043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.441043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.441043 (E_RNA) where: Base-Base interactions energy: -6.953 where: short stacking energy: -6.953 Base-Backbone interact. energy: -0.001 local terms energy: -17.487126 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.993 flat angles P-C4'-P energy: -2.608 tors. eta vs tors. theta energy: -2.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -26.946822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.946822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.946822 (E_RNA) where: Base-Base interactions energy: -7.620 where: short stacking energy: -7.620 Base-Backbone interact. energy: -0.010 local terms energy: -19.317086 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.345 flat angles P-C4'-P energy: -2.831 tors. eta vs tors. theta energy: -2.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -26.615400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.615400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.615400 (E_RNA) where: Base-Base interactions energy: -8.704 where: short stacking energy: -8.704 Base-Backbone interact. energy: -0.000 local terms energy: -17.911764 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -4.205 flat angles C4'-P-C4' energy: -4.342 flat angles P-C4'-P energy: -1.683 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: 6, replica: 10 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -23.280587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.280587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.280587 (E_RNA) where: Base-Base interactions energy: -7.698 where: short stacking energy: -7.698 Base-Backbone interact. energy: -0.000 local terms energy: -15.582724 where: bonds (distance) C4'-P energy: -2.954 bonds (distance) P-C4' energy: -3.815 flat angles C4'-P-C4' energy: -4.059 flat angles P-C4'-P energy: -2.685 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: 7, replica: 6 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -26.212302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.212302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.212302 (E_RNA) where: Base-Base interactions energy: -10.750 where: short stacking energy: -10.750 Base-Backbone interact. energy: 1.112 local terms energy: -16.573862 where: bonds (distance) C4'-P energy: -1.306 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.355 flat angles P-C4'-P energy: -3.777 tors. eta vs tors. theta energy: -2.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -25.416285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.416285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.416285 (E_RNA) where: Base-Base interactions energy: -7.596 where: short stacking energy: -7.596 Base-Backbone interact. energy: -0.000 local terms energy: -17.820257 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -3.790 flat angles C4'-P-C4' energy: -4.483 flat angles P-C4'-P energy: -2.207 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: 9, replica: 5 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -21.899347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.899347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.899347 (E_RNA) where: Base-Base interactions energy: -5.229 where: short stacking energy: -5.229 Base-Backbone interact. energy: -0.684 local terms energy: -15.985903 where: bonds (distance) C4'-P energy: -3.045 bonds (distance) P-C4' energy: -3.811 flat angles C4'-P-C4' energy: -4.290 flat angles P-C4'-P energy: -2.113 tors. eta vs tors. theta energy: -2.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -24.091737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.091737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.091737 (E_RNA) where: Base-Base interactions energy: -7.298 where: short stacking energy: -7.298 Base-Backbone interact. energy: -0.001 local terms energy: -16.792856 where: bonds (distance) C4'-P energy: -2.867 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -2.834 flat angles P-C4'-P energy: -2.320 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: 1, replica: 3 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -29.625833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.625833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.625833 (E_RNA) where: Base-Base interactions energy: -11.754 where: short stacking energy: -11.754 Base-Backbone interact. energy: -0.000 local terms energy: -17.871708 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.537 flat angles P-C4'-P energy: -2.639 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: 2, replica: 9 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -26.363077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.363077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.363077 (E_RNA) where: Base-Base interactions energy: -8.695 where: short stacking energy: -8.695 Base-Backbone interact. energy: -0.000 local terms energy: -17.668352 where: bonds (distance) C4'-P energy: -2.539 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.492 flat angles P-C4'-P energy: -3.234 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: 3, replica: 7 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -27.730503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.730503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.730503 (E_RNA) where: Base-Base interactions energy: -6.951 where: short stacking energy: -6.951 Base-Backbone interact. energy: 0.793 local terms energy: -21.572301 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.558 flat angles P-C4'-P energy: -2.978 tors. eta vs tors. theta energy: -5.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -24.173298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.173298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.173298 (E_RNA) where: Base-Base interactions energy: -7.036 where: short stacking energy: -7.036 Base-Backbone interact. energy: -0.000 local terms energy: -17.137225 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.580 flat angles P-C4'-P energy: -3.503 tors. eta vs tors. theta energy: -0.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -25.644205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.644205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.644205 (E_RNA) where: Base-Base interactions energy: -6.689 where: short stacking energy: -6.689 Base-Backbone interact. energy: -0.000 local terms energy: -18.954864 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -4.261 flat angles P-C4'-P energy: -3.644 tors. eta vs tors. theta energy: -2.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -19.594630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.594630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.594630 (E_RNA) where: Base-Base interactions energy: -4.468 where: short stacking energy: -4.468 Base-Backbone interact. energy: -0.098 local terms energy: -15.028398 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -2.576 flat angles P-C4'-P energy: -3.659 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: 7, replica: 2 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -23.765537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.765537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.765537 (E_RNA) where: Base-Base interactions energy: -6.779 where: short stacking energy: -6.836 Base-Backbone interact. energy: -0.000 local terms energy: -16.986958 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -4.631 flat angles C4'-P-C4' energy: -3.253 flat angles P-C4'-P energy: -3.076 tors. eta vs tors. theta energy: -1.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -21.894735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.894735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.894735 (E_RNA) where: Base-Base interactions energy: -6.193 where: short stacking energy: -6.193 Base-Backbone interact. energy: -0.045 local terms energy: -15.656401 where: bonds (distance) C4'-P energy: -2.581 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -4.700 flat angles P-C4'-P energy: -3.369 tors. eta vs tors. theta energy: -0.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -21.891818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.891818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.891818 (E_RNA) where: Base-Base interactions energy: -3.228 where: short stacking energy: -3.228 Base-Backbone interact. energy: -0.095 local terms energy: -18.568614 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.447 flat angles P-C4'-P energy: -3.409 tors. eta vs tors. theta energy: -1.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -23.046555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.046555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.046555 (E_RNA) where: Base-Base interactions energy: -8.091 where: short stacking energy: -8.091 Base-Backbone interact. energy: -0.013 local terms energy: -14.943333 where: bonds (distance) C4'-P energy: -2.867 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -3.244 flat angles P-C4'-P energy: -2.888 tors. eta vs tors. theta energy: -1.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -28.651041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.651041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.651041 (E_RNA) where: Base-Base interactions energy: -9.721 where: short stacking energy: -9.721 Base-Backbone interact. energy: -0.000 local terms energy: -18.930452 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -3.924 flat angles P-C4'-P energy: -3.164 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: 2, replica: 7 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -26.390849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.390849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.390849 (E_RNA) where: Base-Base interactions energy: -7.251 where: short stacking energy: -7.251 Base-Backbone interact. energy: -0.000 local terms energy: -19.139497 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.487 flat angles P-C4'-P energy: -3.160 tors. eta vs tors. theta energy: -1.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -21.360961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.360961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.360961 (E_RNA) where: Base-Base interactions energy: -3.012 where: short stacking energy: -3.012 Base-Backbone interact. energy: -0.023 local terms energy: -18.325284 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.623 flat angles P-C4'-P energy: -2.451 tors. eta vs tors. theta energy: -2.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -25.107937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.107937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.107937 (E_RNA) where: Base-Base interactions energy: -7.280 where: short stacking energy: -7.280 Base-Backbone interact. energy: -0.000 local terms energy: -17.827504 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -3.941 flat angles C4'-P-C4' energy: -4.074 flat angles P-C4'-P energy: -3.862 tors. eta vs tors. theta energy: -1.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -23.607948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.607948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.607948 (E_RNA) where: Base-Base interactions energy: -6.343 where: short stacking energy: -6.343 Base-Backbone interact. energy: -0.011 local terms energy: -17.253916 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.832 flat angles P-C4'-P energy: -3.715 tors. eta vs tors. theta energy: -0.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -24.122194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.122194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.122194 (E_RNA) where: Base-Base interactions energy: -10.131 where: short stacking energy: -10.131 Base-Backbone interact. energy: -0.000 local terms energy: -13.991449 where: bonds (distance) C4'-P energy: 0.421 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -3.519 flat angles P-C4'-P energy: -2.833 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: 4 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -29.469695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.469695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.469695 (E_RNA) where: Base-Base interactions energy: -10.486 where: short stacking energy: -10.486 Base-Backbone interact. energy: -0.000 local terms energy: -18.983391 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -2.835 flat angles P-C4'-P energy: -3.070 tors. eta vs tors. theta energy: -3.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -22.230338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.230338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.230338 (E_RNA) where: Base-Base interactions energy: -7.876 where: short stacking energy: -7.876 Base-Backbone interact. energy: -0.026 local terms energy: -14.327910 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -3.494 flat angles C4'-P-C4' energy: -3.904 flat angles P-C4'-P energy: -2.209 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: 9, replica: 6 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -21.106216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.106216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.106216 (E_RNA) where: Base-Base interactions energy: -7.268 where: short stacking energy: -7.268 Base-Backbone interact. energy: -0.011 local terms energy: -13.827342 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -2.152 flat angles P-C4'-P energy: -2.917 tors. eta vs tors. theta energy: -0.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -19.591320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.591320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.591320 (E_RNA) where: Base-Base interactions energy: -4.477 where: short stacking energy: -4.477 Base-Backbone interact. energy: -0.009 local terms energy: -15.105703 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -3.836 flat angles P-C4'-P energy: -2.527 tors. eta vs tors. theta energy: -0.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -23.647796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.647796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.647796 (E_RNA) where: Base-Base interactions energy: -6.182 where: short stacking energy: -6.182 Base-Backbone interact. energy: -0.024 local terms energy: -17.441067 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.764 flat angles P-C4'-P energy: -2.393 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: 242 Temperature: 0.950000 Total energy: -25.278269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.278269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.278269 (E_RNA) where: Base-Base interactions energy: -7.001 where: short stacking energy: -7.001 Base-Backbone interact. energy: -0.978 local terms energy: -17.299471 where: bonds (distance) C4'-P energy: -3.042 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -4.464 flat angles P-C4'-P energy: -2.420 tors. eta vs tors. theta energy: -2.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -27.446673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.446673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.446673 (E_RNA) where: Base-Base interactions energy: -10.319 where: short stacking energy: -10.319 Base-Backbone interact. energy: -0.001 local terms energy: -17.126518 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -3.557 flat angles C4'-P-C4' energy: -3.944 flat angles P-C4'-P energy: -3.063 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: 4, replica: 9 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -25.352604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.352604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.352604 (E_RNA) where: Base-Base interactions energy: -6.517 where: short stacking energy: -6.517 Base-Backbone interact. energy: -0.000 local terms energy: -18.835217 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.398 flat angles P-C4'-P energy: -2.942 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: 5, replica: 2 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -23.806597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.806597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.806597 (E_RNA) where: Base-Base interactions energy: -4.288 where: short stacking energy: -4.288 Base-Backbone interact. energy: -0.001 local terms energy: -19.518034 where: bonds (distance) C4'-P energy: -4.750 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -4.801 flat angles P-C4'-P energy: -3.295 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: 8 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -29.013336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.013336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.013336 (E_RNA) where: Base-Base interactions energy: -10.848 where: short stacking energy: -10.848 Base-Backbone interact. energy: -0.068 local terms energy: -18.097503 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.152 flat angles C4'-P-C4' energy: -4.766 flat angles P-C4'-P energy: -3.055 tors. eta vs tors. theta energy: -1.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -19.982085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.982085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.982085 (E_RNA) where: Base-Base interactions energy: -5.563 where: short stacking energy: -5.563 Base-Backbone interact. energy: -0.013 local terms energy: -14.406970 where: bonds (distance) C4'-P energy: -3.645 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.313 flat angles P-C4'-P energy: -2.336 tors. eta vs tors. theta energy: 0.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -22.069224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.069224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.069224 (E_RNA) where: Base-Base interactions energy: -8.042 where: short stacking energy: -8.042 Base-Backbone interact. energy: -0.000 local terms energy: -14.027635 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.479 flat angles P-C4'-P energy: -2.401 tors. eta vs tors. theta energy: 0.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -21.759182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.759182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.759182 (E_RNA) where: Base-Base interactions energy: -7.590 where: short stacking energy: -7.590 Base-Backbone interact. energy: -0.000 local terms energy: -14.168928 where: bonds (distance) C4'-P energy: -2.263 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -4.119 flat angles P-C4'-P energy: -3.404 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: 10, replica: 6 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -23.249123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.249123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.249123 (E_RNA) where: Base-Base interactions energy: -7.424 where: short stacking energy: -7.424 Base-Backbone interact. energy: -0.099 local terms energy: -15.726152 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -2.841 flat angles P-C4'-P energy: -2.678 tors. eta vs tors. theta energy: -2.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -28.375311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.375311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.375311 (E_RNA) where: Base-Base interactions energy: -9.734 where: short stacking energy: -9.734 Base-Backbone interact. energy: -0.000 local terms energy: -18.641500 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.582 flat angles P-C4'-P energy: -1.536 tors. eta vs tors. theta energy: -3.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -25.435664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.435664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.435664 (E_RNA) where: Base-Base interactions energy: -9.720 where: short stacking energy: -9.720 Base-Backbone interact. energy: -0.001 local terms energy: -15.714460 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -4.544 flat angles P-C4'-P energy: -2.117 tors. eta vs tors. theta energy: -0.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -31.245565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.245565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.245565 (E_RNA) where: Base-Base interactions energy: -10.971 where: short stacking energy: -10.971 Base-Backbone interact. energy: -0.000 local terms energy: -20.274236 where: bonds (distance) C4'-P energy: -3.070 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.394 flat angles P-C4'-P energy: -3.709 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: 4, replica: 2 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -23.649588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.649588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.649588 (E_RNA) where: Base-Base interactions energy: -6.657 where: short stacking energy: -6.657 Base-Backbone interact. energy: -0.000 local terms energy: -16.992532 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -2.875 flat angles P-C4'-P energy: -1.671 tors. eta vs tors. theta energy: -3.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -25.126745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.126745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.126745 (E_RNA) where: Base-Base interactions energy: -7.244 where: short stacking energy: -7.244 Base-Backbone interact. energy: -0.000 local terms energy: -17.882908 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -3.818 flat angles C4'-P-C4' energy: -3.027 flat angles P-C4'-P energy: -3.770 tors. eta vs tors. theta energy: -2.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -25.122041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.122041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.122041 (E_RNA) where: Base-Base interactions energy: -6.835 where: short stacking energy: -6.835 Base-Backbone interact. energy: -1.301 local terms energy: -16.986020 where: bonds (distance) C4'-P energy: -2.379 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.095 flat angles P-C4'-P energy: -2.573 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: 7, replica: 8 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -26.468683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.468683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.468683 (E_RNA) where: Base-Base interactions energy: -10.242 where: short stacking energy: -10.242 Base-Backbone interact. energy: -0.000 local terms energy: -16.226978 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -3.885 flat angles C4'-P-C4' energy: -3.077 flat angles P-C4'-P energy: -3.759 tors. eta vs tors. theta energy: -2.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -25.337944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.337944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.337944 (E_RNA) where: Base-Base interactions energy: -7.838 where: short stacking energy: -7.838 Base-Backbone interact. energy: -0.000 local terms energy: -17.500236 where: bonds (distance) C4'-P energy: -2.076 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.261 flat angles P-C4'-P energy: -2.528 tors. eta vs tors. theta energy: -3.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -29.687733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.687733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.687733 (E_RNA) where: Base-Base interactions energy: -9.217 where: short stacking energy: -9.217 Base-Backbone interact. energy: -0.000 local terms energy: -20.470227 where: bonds (distance) C4'-P energy: -3.861 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.448 flat angles P-C4'-P energy: -3.419 tors. eta vs tors. theta energy: -4.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -18.924770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.924770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.924770 (E_RNA) where: Base-Base interactions energy: -3.998 where: short stacking energy: -3.998 Base-Backbone interact. energy: -0.099 local terms energy: -14.828362 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -3.781 flat angles C4'-P-C4' energy: -3.625 flat angles P-C4'-P energy: -3.343 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: 1, replica: 10 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -28.666284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.666284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.666284 (E_RNA) where: Base-Base interactions energy: -11.283 where: short stacking energy: -11.283 Base-Backbone interact. energy: -0.003 local terms energy: -17.380159 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -2.289 flat angles P-C4'-P energy: -2.644 tors. eta vs tors. theta energy: -3.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -28.948376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.948376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.948376 (E_RNA) where: Base-Base interactions energy: -9.686 where: short stacking energy: -9.686 Base-Backbone interact. energy: -0.000 local terms energy: -19.262448 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.620 flat angles P-C4'-P energy: -3.551 tors. eta vs tors. theta energy: -2.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -26.005630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.005630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.005630 (E_RNA) where: Base-Base interactions energy: -11.278 where: short stacking energy: -11.278 Base-Backbone interact. energy: -0.000 local terms energy: -14.727520 where: bonds (distance) C4'-P energy: -2.109 bonds (distance) P-C4' energy: -4.112 flat angles C4'-P-C4' energy: -4.244 flat angles P-C4'-P energy: -2.553 tors. eta vs tors. theta energy: -1.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -28.212800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.212800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.212800 (E_RNA) where: Base-Base interactions energy: -11.800 where: short stacking energy: -11.800 Base-Backbone interact. energy: -0.001 local terms energy: -16.412164 where: bonds (distance) C4'-P energy: -3.513 bonds (distance) P-C4' energy: -3.174 flat angles C4'-P-C4' energy: -3.692 flat angles P-C4'-P energy: -2.906 tors. eta vs tors. theta energy: -3.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -20.736062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.736062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.736062 (E_RNA) where: Base-Base interactions energy: -2.851 where: short stacking energy: -2.851 Base-Backbone interact. energy: -0.000 local terms energy: -17.884626 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.339 flat angles P-C4'-P energy: -2.911 tors. eta vs tors. theta energy: -0.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -25.705384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.705384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.705384 (E_RNA) where: Base-Base interactions energy: -6.618 where: short stacking energy: -6.618 Base-Backbone interact. energy: -0.000 local terms energy: -19.087325 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.569 flat angles C4'-P-C4' energy: -3.493 flat angles P-C4'-P energy: -3.865 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: 7, replica: 1 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -25.400897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.400897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.400897 (E_RNA) where: Base-Base interactions energy: -9.105 where: short stacking energy: -9.105 Base-Backbone interact. energy: -0.009 local terms energy: -16.286779 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -2.646 flat angles C4'-P-C4' energy: -3.447 flat angles P-C4'-P energy: -2.940 tors. eta vs tors. theta energy: -2.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -20.312228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.312228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.312228 (E_RNA) where: Base-Base interactions energy: -3.409 where: short stacking energy: -3.409 Base-Backbone interact. energy: -0.082 local terms energy: -16.820849 where: bonds (distance) C4'-P energy: -3.799 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -4.710 flat angles P-C4'-P energy: -2.796 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: 9, replica: 6 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -23.079138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.079138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.079138 (E_RNA) where: Base-Base interactions energy: -6.714 where: short stacking energy: -6.714 Base-Backbone interact. energy: -0.074 local terms energy: -16.290748 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -3.887 flat angles P-C4'-P energy: -0.080 tors. eta vs tors. theta energy: -3.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -23.379291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.379291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.379291 (E_RNA) where: Base-Base interactions energy: -7.136 where: short stacking energy: -7.190 Base-Backbone interact. energy: -0.000 local terms energy: -16.242812 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -2.898 flat angles C4'-P-C4' energy: -3.692 flat angles P-C4'-P energy: -2.485 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: 1, replica: 10 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -29.677662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.677662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.677662 (E_RNA) where: Base-Base interactions energy: -10.260 where: short stacking energy: -10.260 Base-Backbone interact. energy: -0.000 local terms energy: -19.417998 where: bonds (distance) C4'-P energy: -4.750 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.938 flat angles P-C4'-P energy: -3.008 tors. eta vs tors. theta energy: -2.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -26.687933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.687933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.687933 (E_RNA) where: Base-Base interactions energy: -7.048 where: short stacking energy: -7.048 Base-Backbone interact. energy: -0.000 local terms energy: -19.639665 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.697 flat angles P-C4'-P energy: -2.802 tors. eta vs tors. theta energy: -3.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -25.003074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.003074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.003074 (E_RNA) where: Base-Base interactions energy: -7.306 where: short stacking energy: -7.306 Base-Backbone interact. energy: 0.246 local terms energy: -17.943297 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.395 flat angles C4'-P-C4' energy: -4.485 flat angles P-C4'-P energy: -3.554 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: 4, replica: 5 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -26.921739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.921739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.921739 (E_RNA) where: Base-Base interactions energy: -8.271 where: short stacking energy: -8.271 Base-Backbone interact. energy: -0.001 local terms energy: -18.650409 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.833 flat angles P-C4'-P energy: -3.375 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: 3 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -24.164524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.164524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.164524 (E_RNA) where: Base-Base interactions energy: -7.710 where: short stacking energy: -7.710 Base-Backbone interact. energy: -0.000 local terms energy: -16.454955 where: bonds (distance) C4'-P energy: -4.039 bonds (distance) P-C4' energy: -3.410 flat angles C4'-P-C4' energy: -4.188 flat angles P-C4'-P energy: -2.993 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: 1 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -22.471012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.471012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.471012 (E_RNA) where: Base-Base interactions energy: -4.354 where: short stacking energy: -4.354 Base-Backbone interact. energy: -0.000 local terms energy: -18.117406 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.258 flat angles P-C4'-P energy: -3.291 tors. eta vs tors. theta energy: -1.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -28.854184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.854184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.854184 (E_RNA) where: Base-Base interactions energy: -11.987 where: short stacking energy: -12.216 Base-Backbone interact. energy: -0.001 local terms energy: -16.866056 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -3.401 flat angles C4'-P-C4' energy: -4.599 flat angles P-C4'-P energy: -2.956 tors. eta vs tors. theta energy: -1.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -21.235057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.235057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.235057 (E_RNA) where: Base-Base interactions energy: -4.070 where: short stacking energy: -4.070 Base-Backbone interact. energy: -0.000 local terms energy: -17.164715 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -2.833 flat angles P-C4'-P energy: -2.217 tors. eta vs tors. theta energy: -3.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -20.713946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.713946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.713946 (E_RNA) where: Base-Base interactions energy: -6.918 where: short stacking energy: -6.918 Base-Backbone interact. energy: -1.014 local terms energy: -12.781691 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: 0.244 flat angles P-C4'-P energy: -3.172 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: 10, replica: 4 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -19.826755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.826755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.826755 (E_RNA) where: Base-Base interactions energy: -3.142 where: short stacking energy: -3.142 Base-Backbone interact. energy: -0.087 local terms energy: -16.597534 where: bonds (distance) C4'-P energy: -3.036 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.311 flat angles P-C4'-P energy: -2.744 tors. eta vs tors. theta energy: -1.389 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: 2 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -30.133521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.133521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.133521 (E_RNA) where: Base-Base interactions energy: -12.518 where: short stacking energy: -12.518 Base-Backbone interact. energy: -0.000 local terms energy: -17.615725 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -2.522 flat angles P-C4'-P energy: -3.343 tors. eta vs tors. theta energy: -3.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -29.293676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.293676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.293676 (E_RNA) where: Base-Base interactions energy: -11.452 where: short stacking energy: -11.666 Base-Backbone interact. energy: -0.000 local terms energy: -17.841547 where: bonds (distance) C4'-P energy: -2.084 bonds (distance) P-C4' energy: -4.631 flat angles C4'-P-C4' energy: -4.924 flat angles P-C4'-P energy: -3.159 tors. eta vs tors. theta energy: -3.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -27.635505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.635505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.635505 (E_RNA) where: Base-Base interactions energy: -11.955 where: short stacking energy: -11.955 Base-Backbone interact. energy: -0.012 local terms energy: -15.669086 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -3.383 flat angles P-C4'-P energy: -2.288 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: 4, replica: 7 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -26.231287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.231287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.231287 (E_RNA) where: Base-Base interactions energy: -7.992 where: short stacking energy: -7.992 Base-Backbone interact. energy: -0.000 local terms energy: -18.239398 where: bonds (distance) C4'-P energy: -4.742 bonds (distance) P-C4' energy: -3.885 flat angles C4'-P-C4' energy: -2.470 flat angles P-C4'-P energy: -3.835 tors. eta vs tors. theta energy: -3.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -23.497021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.497021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.497021 (E_RNA) where: Base-Base interactions energy: -6.481 where: short stacking energy: -6.481 Base-Backbone interact. energy: -0.001 local terms energy: -17.015688 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -4.265 flat angles P-C4'-P energy: -2.847 tors. eta vs tors. theta energy: -1.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -24.560084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.560084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.560084 (E_RNA) where: Base-Base interactions energy: -7.197 where: short stacking energy: -7.197 Base-Backbone interact. energy: -0.000 local terms energy: -17.363245 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -3.991 flat angles C4'-P-C4' energy: -4.590 flat angles P-C4'-P energy: -2.242 tors. eta vs tors. theta energy: -2.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -22.805848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.805848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.805848 (E_RNA) where: Base-Base interactions energy: -5.607 where: short stacking energy: -6.574 Base-Backbone interact. energy: -0.010 local terms energy: -17.188078 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.230 flat angles P-C4'-P energy: -0.801 tors. eta vs tors. theta energy: -3.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -24.576104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.576104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.576104 (E_RNA) where: Base-Base interactions energy: -8.718 where: short stacking energy: -8.718 Base-Backbone interact. energy: -0.000 local terms energy: -15.857706 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -2.870 flat angles C4'-P-C4' energy: -3.976 flat angles P-C4'-P energy: -1.154 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: 9, replica: 4 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -24.425760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.425760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.425760 (E_RNA) where: Base-Base interactions energy: -9.410 where: short stacking energy: -9.410 Base-Backbone interact. energy: -0.000 local terms energy: -15.015948 where: bonds (distance) C4'-P energy: -0.656 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -3.918 flat angles P-C4'-P energy: -2.470 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: 10, replica: 8 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -21.479450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.479450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.479450 (E_RNA) where: Base-Base interactions energy: -5.912 where: short stacking energy: -6.210 Base-Backbone interact. energy: -0.001 local terms energy: -15.565822 where: bonds (distance) C4'-P energy: -1.790 bonds (distance) P-C4' energy: -4.044 flat angles C4'-P-C4' energy: -4.130 flat angles P-C4'-P energy: -3.072 tors. eta vs tors. theta energy: -2.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -27.061837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.061837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.061837 (E_RNA) where: Base-Base interactions energy: -10.391 where: short stacking energy: -10.391 Base-Backbone interact. energy: -0.000 local terms energy: -16.671099 where: bonds (distance) C4'-P energy: -2.921 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.099 flat angles P-C4'-P energy: -2.973 tors. eta vs tors. theta energy: -2.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -24.231683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.231683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.231683 (E_RNA) where: Base-Base interactions energy: -7.950 where: short stacking energy: -7.950 Base-Backbone interact. energy: -0.000 local terms energy: -16.281669 where: bonds (distance) C4'-P energy: -4.341 bonds (distance) P-C4' energy: -3.984 flat angles C4'-P-C4' energy: -2.982 flat angles P-C4'-P energy: -2.385 tors. eta vs tors. theta energy: -2.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -26.799522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.799522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.799522 (E_RNA) where: Base-Base interactions energy: -8.567 where: short stacking energy: -8.567 Base-Backbone interact. energy: -0.000 local terms energy: -18.232629 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.628 flat angles P-C4'-P energy: -2.278 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: 1 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -23.531300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.531300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.531300 (E_RNA) where: Base-Base interactions energy: -9.497 where: short stacking energy: -9.497 Base-Backbone interact. energy: -0.000 local terms energy: -14.033582 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -2.875 flat angles P-C4'-P energy: -2.718 tors. eta vs tors. theta energy: -0.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -26.638698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.638698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.638698 (E_RNA) where: Base-Base interactions energy: -8.279 where: short stacking energy: -8.279 Base-Backbone interact. energy: -0.000 local terms energy: -18.359750 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.995 flat angles P-C4'-P energy: -1.417 tors. eta vs tors. theta energy: -3.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -24.477567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.477567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.477567 (E_RNA) where: Base-Base interactions energy: -8.567 where: short stacking energy: -8.567 Base-Backbone interact. energy: -0.036 local terms energy: -15.875363 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -3.969 flat angles C4'-P-C4' energy: -3.692 flat angles P-C4'-P energy: -3.442 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: 7, replica: 3 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -21.239556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.239556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.239556 (E_RNA) where: Base-Base interactions energy: -7.570 where: short stacking energy: -7.570 Base-Backbone interact. energy: -0.000 local terms energy: -13.668904 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -1.412 flat angles P-C4'-P energy: -2.935 tors. eta vs tors. theta energy: -0.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -23.073135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.073135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.073135 (E_RNA) where: Base-Base interactions energy: -7.850 where: short stacking energy: -7.850 Base-Backbone interact. energy: -0.000 local terms energy: -15.223269 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -2.559 flat angles P-C4'-P energy: -2.569 tors. eta vs tors. theta energy: -1.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -24.193263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.193263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.193263 (E_RNA) where: Base-Base interactions energy: -7.104 where: short stacking energy: -7.104 Base-Backbone interact. energy: -0.002 local terms energy: -17.086705 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.150 flat angles P-C4'-P energy: -2.672 tors. eta vs tors. theta energy: -1.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -20.024606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.024606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.024606 (E_RNA) where: Base-Base interactions energy: -3.011 where: short stacking energy: -3.011 Base-Backbone interact. energy: -0.013 local terms energy: -17.001376 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.324 flat angles P-C4'-P energy: -2.963 tors. eta vs tors. theta energy: -0.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -28.549285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.549285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.549285 (E_RNA) where: Base-Base interactions energy: -10.166 where: short stacking energy: -10.166 Base-Backbone interact. energy: -0.041 local terms energy: -18.341788 where: bonds (distance) C4'-P energy: -3.682 bonds (distance) P-C4' energy: -4.416 flat angles C4'-P-C4' energy: -3.865 flat angles P-C4'-P energy: -3.178 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: 2 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -27.648350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.648350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.648350 (E_RNA) where: Base-Base interactions energy: -10.182 where: short stacking energy: -10.182 Base-Backbone interact. energy: -0.000 local terms energy: -17.466392 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.392 flat angles C4'-P-C4' energy: -3.726 flat angles P-C4'-P energy: -2.428 tors. eta vs tors. theta energy: -2.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -26.192238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.192238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.192238 (E_RNA) where: Base-Base interactions energy: -9.233 where: short stacking energy: -9.233 Base-Backbone interact. energy: -0.000 local terms energy: -16.958748 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -4.805 flat angles P-C4'-P energy: -0.275 tors. eta vs tors. theta energy: -3.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -23.269558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.269558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.269558 (E_RNA) where: Base-Base interactions energy: -9.411 where: short stacking energy: -9.411 Base-Backbone interact. energy: -0.004 local terms energy: -13.854096 where: bonds (distance) C4'-P energy: -3.264 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.601 flat angles P-C4'-P energy: -3.548 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: 5, replica: 6 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -25.785521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.785521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.785521 (E_RNA) where: Base-Base interactions energy: -8.651 where: short stacking energy: -8.651 Base-Backbone interact. energy: -0.003 local terms energy: -17.131265 where: bonds (distance) C4'-P energy: -3.861 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.339 flat angles P-C4'-P energy: -2.943 tors. eta vs tors. theta energy: -1.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -24.050761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.050761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.050761 (E_RNA) where: Base-Base interactions energy: -6.815 where: short stacking energy: -6.815 Base-Backbone interact. energy: -0.000 local terms energy: -17.235202 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.505 flat angles P-C4'-P energy: -2.746 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: 7, replica: 4 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -27.027927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.027927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.027927 (E_RNA) where: Base-Base interactions energy: -8.770 where: short stacking energy: -8.770 Base-Backbone interact. energy: -0.000 local terms energy: -18.258331 where: bonds (distance) C4'-P energy: -3.425 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.940 flat angles P-C4'-P energy: -2.454 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: 8, replica: 3 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -24.760227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.760227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.760227 (E_RNA) where: Base-Base interactions energy: -7.614 where: short stacking energy: -7.614 Base-Backbone interact. energy: -0.000 local terms energy: -17.146069 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -3.336 flat angles C4'-P-C4' energy: -4.011 flat angles P-C4'-P energy: -2.811 tors. eta vs tors. theta energy: -2.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -25.287655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.287655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.287655 (E_RNA) where: Base-Base interactions energy: -8.055 where: short stacking energy: -8.055 Base-Backbone interact. energy: -0.001 local terms energy: -17.231749 where: bonds (distance) C4'-P energy: -2.759 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -3.299 flat angles P-C4'-P energy: -2.583 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: 10, replica: 9 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -18.679023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.679023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.679023 (E_RNA) where: Base-Base interactions energy: -2.276 where: short stacking energy: -2.276 Base-Backbone interact. energy: -0.237 local terms energy: -16.166120 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.781 flat angles P-C4'-P energy: -3.338 tors. eta vs tors. theta energy: -0.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -29.933488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.933488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.933488 (E_RNA) where: Base-Base interactions energy: -10.872 where: short stacking energy: -10.872 Base-Backbone interact. energy: -0.015 local terms energy: -19.047102 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.860 flat angles P-C4'-P energy: -3.100 tors. eta vs tors. theta energy: -2.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -25.996544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.996544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.996544 (E_RNA) where: Base-Base interactions energy: -5.657 where: short stacking energy: -5.657 Base-Backbone interact. energy: -0.000 local terms energy: -20.339808 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.266 flat angles P-C4'-P energy: -3.260 tors. eta vs tors. theta energy: -4.220 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: 3, replica: 2 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -28.247958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.247958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.247958 (E_RNA) where: Base-Base interactions energy: -7.610 where: short stacking energy: -7.610 Base-Backbone interact. energy: -0.000 local terms energy: -20.637975 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.892 flat angles P-C4'-P energy: -2.086 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: 4, replica: 6 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -27.385137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.385137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.385137 (E_RNA) where: Base-Base interactions energy: -8.017 where: short stacking energy: -8.017 Base-Backbone interact. energy: -0.000 local terms energy: -19.367873 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -4.786 flat angles P-C4'-P energy: -3.161 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: 5, replica: 10 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -22.584760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.584760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.584760 (E_RNA) where: Base-Base interactions energy: -7.991 where: short stacking energy: -7.991 Base-Backbone interact. energy: -0.089 local terms energy: -14.504833 where: bonds (distance) C4'-P energy: -2.387 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -4.659 flat angles P-C4'-P energy: -2.362 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: 6, replica: 4 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -23.499949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.499949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.499949 (E_RNA) where: Base-Base interactions energy: -5.342 where: short stacking energy: -5.342 Base-Backbone interact. energy: -0.011 local terms energy: -18.146702 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.078 flat angles C4'-P-C4' energy: -4.049 flat angles P-C4'-P energy: -3.759 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: 7, replica: 7 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -22.420809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.420809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.420809 (E_RNA) where: Base-Base interactions energy: -4.304 where: short stacking energy: -4.304 Base-Backbone interact. energy: -0.006 local terms energy: -18.111309 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.413 flat angles C4'-P-C4' energy: -4.467 flat angles P-C4'-P energy: -3.214 tors. eta vs tors. theta energy: -2.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -21.703771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.703771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.703771 (E_RNA) where: Base-Base interactions energy: -5.755 where: short stacking energy: -5.755 Base-Backbone interact. energy: -0.000 local terms energy: -15.948559 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -3.178 flat angles P-C4'-P energy: -1.797 tors. eta vs tors. theta energy: -2.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -19.819771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.819771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.819771 (E_RNA) where: Base-Base interactions energy: -4.734 where: short stacking energy: -4.734 Base-Backbone interact. energy: -0.051 local terms energy: -15.034946 where: bonds (distance) C4'-P energy: -2.279 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.379 flat angles P-C4'-P energy: -1.621 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: 249 Temperature: 1.350000 Total energy: -20.170143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.170143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.170143 (E_RNA) where: Base-Base interactions energy: -3.527 where: short stacking energy: -3.527 Base-Backbone interact. energy: -0.040 local terms energy: -16.603248 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.870 flat angles P-C4'-P energy: -1.758 tors. eta vs tors. theta energy: -1.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -30.907295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.907295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.907295 (E_RNA) where: Base-Base interactions energy: -11.801 where: short stacking energy: -11.801 Base-Backbone interact. energy: -0.000 local terms energy: -19.105918 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -2.569 flat angles P-C4'-P energy: -3.178 tors. eta vs tors. theta energy: -4.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -27.404712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.404712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.404712 (E_RNA) where: Base-Base interactions energy: -10.564 where: short stacking energy: -10.564 Base-Backbone interact. energy: -0.000 local terms energy: -16.840555 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -4.051 flat angles C4'-P-C4' energy: -4.104 flat angles P-C4'-P energy: -2.642 tors. eta vs tors. theta energy: -1.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -22.629962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.629962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.629962 (E_RNA) where: Base-Base interactions energy: -7.195 where: short stacking energy: -7.195 Base-Backbone interact. energy: -0.104 local terms energy: -15.331090 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -1.268 flat angles C4'-P-C4' energy: -3.354 flat angles P-C4'-P energy: -3.709 tors. eta vs tors. theta energy: -2.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -25.064498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.064498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.064498 (E_RNA) where: Base-Base interactions energy: -7.001 where: short stacking energy: -7.001 Base-Backbone interact. energy: -0.000 local terms energy: -18.063128 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.493 flat angles P-C4'-P energy: -3.617 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: 4 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -24.754505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.754505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.754505 (E_RNA) where: Base-Base interactions energy: -5.928 where: short stacking energy: -5.928 Base-Backbone interact. energy: -0.000 local terms energy: -18.825741 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -4.464 flat angles P-C4'-P energy: -2.887 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: 6, replica: 10 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -22.000982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.000982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.000982 (E_RNA) where: Base-Base interactions energy: -6.355 where: short stacking energy: -6.547 Base-Backbone interact. energy: -0.009 local terms energy: -15.636229 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -3.799 flat angles P-C4'-P energy: -2.008 tors. eta vs tors. theta energy: -1.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -21.283648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.283648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.283648 (E_RNA) where: Base-Base interactions energy: -4.195 where: short stacking energy: -4.195 Base-Backbone interact. energy: -0.000 local terms energy: -17.088286 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.908 flat angles P-C4'-P energy: -3.518 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: 8, replica: 7 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -22.445292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.445292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.445292 (E_RNA) where: Base-Base interactions energy: -4.499 where: short stacking energy: -4.499 Base-Backbone interact. energy: -0.001 local terms energy: -17.945743 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -3.966 flat angles C4'-P-C4' energy: -4.352 flat angles P-C4'-P energy: -3.522 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: 9, replica: 9 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -21.455784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.455784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.455784 (E_RNA) where: Base-Base interactions energy: -6.550 where: short stacking energy: -6.550 Base-Backbone interact. energy: -0.013 local terms energy: -14.893150 where: bonds (distance) C4'-P energy: -3.152 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.564 flat angles P-C4'-P energy: -2.692 tors. eta vs tors. theta energy: -0.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -22.987455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.987455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.987455 (E_RNA) where: Base-Base interactions energy: -8.137 where: short stacking energy: -8.137 Base-Backbone interact. energy: -0.036 local terms energy: -14.814600 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.327 flat angles P-C4'-P energy: -0.475 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: 1, replica: 1 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -31.866714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.866714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.866714 (E_RNA) where: Base-Base interactions energy: -11.180 where: short stacking energy: -11.180 Base-Backbone interact. energy: -0.000 local terms energy: -20.686902 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -4.013 flat angles P-C4'-P energy: -3.824 tors. eta vs tors. theta energy: -4.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -29.984349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.984349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.984349 (E_RNA) where: Base-Base interactions energy: -10.314 where: short stacking energy: -10.314 Base-Backbone interact. energy: -0.000 local terms energy: -19.670438 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.206 flat angles P-C4'-P energy: -3.185 tors. eta vs tors. theta energy: -3.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -26.404458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.404458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.404458 (E_RNA) where: Base-Base interactions energy: -6.987 where: short stacking energy: -6.987 Base-Backbone interact. energy: -0.000 local terms energy: -19.417431 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.647 flat angles P-C4'-P energy: -1.654 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: 4 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -22.725070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.725070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.725070 (E_RNA) where: Base-Base interactions energy: -7.636 where: short stacking energy: -7.636 Base-Backbone interact. energy: -0.050 local terms energy: -15.039398 where: bonds (distance) C4'-P energy: -3.344 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -3.784 flat angles P-C4'-P energy: -2.675 tors. eta vs tors. theta energy: -0.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -23.045542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.045542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.045542 (E_RNA) where: Base-Base interactions energy: -6.364 where: short stacking energy: -6.364 Base-Backbone interact. energy: -0.000 local terms energy: -16.681289 where: bonds (distance) C4'-P energy: -3.939 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.383 flat angles P-C4'-P energy: -2.263 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: 8 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -22.114392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.114392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.114392 (E_RNA) where: Base-Base interactions energy: -7.016 where: short stacking energy: -7.016 Base-Backbone interact. energy: -0.010 local terms energy: -15.087893 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.856 flat angles P-C4'-P energy: -1.660 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: 251 Temperature: 1.200000 Total energy: -24.029328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.029328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.029328 (E_RNA) where: Base-Base interactions energy: -6.976 where: short stacking energy: -6.976 Base-Backbone interact. energy: -0.000 local terms energy: -17.053386 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -2.406 flat angles P-C4'-P energy: -2.452 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: 8, replica: 9 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -21.843482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.843482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.843482 (E_RNA) where: Base-Base interactions energy: -2.638 where: short stacking energy: -2.638 Base-Backbone interact. energy: -0.000 local terms energy: -19.205620 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.360 flat angles P-C4'-P energy: -2.581 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: 9, replica: 7 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -22.148789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.148789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.148789 (E_RNA) where: Base-Base interactions energy: -4.362 where: short stacking energy: -4.362 Base-Backbone interact. energy: -0.079 local terms energy: -17.707609 where: bonds (distance) C4'-P energy: -3.799 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.114 flat angles P-C4'-P energy: -3.976 tors. eta vs tors. theta energy: -0.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -19.349732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.349732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.349732 (E_RNA) where: Base-Base interactions energy: -3.566 where: short stacking energy: -3.566 Base-Backbone interact. energy: -0.001 local terms energy: -15.783312 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -2.145 flat angles P-C4'-P energy: -3.318 tors. eta vs tors. theta energy: -1.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -27.597919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.597919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.597919 (E_RNA) where: Base-Base interactions energy: -9.762 where: short stacking energy: -9.762 Base-Backbone interact. energy: -0.003 local terms energy: -17.833829 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.641 flat angles P-C4'-P energy: -3.108 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: 2, replica: 1 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -28.151513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.151513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.151513 (E_RNA) where: Base-Base interactions energy: -11.266 where: short stacking energy: -11.266 Base-Backbone interact. energy: -0.000 local terms energy: -16.885619 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.188 flat angles P-C4'-P energy: -1.074 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: 4 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -26.318480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.318480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.318480 (E_RNA) where: Base-Base interactions energy: -7.272 where: short stacking energy: -7.272 Base-Backbone interact. energy: -0.000 local terms energy: -19.046519 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.572 flat angles C4'-P-C4' energy: -4.595 flat angles P-C4'-P energy: -2.285 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: 4, replica: 5 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -23.734171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.734171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.734171 (E_RNA) where: Base-Base interactions energy: -7.406 where: short stacking energy: -7.406 Base-Backbone interact. energy: -0.000 local terms energy: -16.327871 where: bonds (distance) C4'-P energy: -2.402 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.388 flat angles P-C4'-P energy: -3.178 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: 5, replica: 8 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -23.819577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.819577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.819577 (E_RNA) where: Base-Base interactions energy: -6.631 where: short stacking energy: -6.631 Base-Backbone interact. energy: -0.000 local terms energy: -17.188528 where: bonds (distance) C4'-P energy: -4.125 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.165 flat angles P-C4'-P energy: -2.527 tors. eta vs tors. theta energy: -2.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -21.837359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.837359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.837359 (E_RNA) where: Base-Base interactions energy: -5.607 where: short stacking energy: -6.107 Base-Backbone interact. energy: -0.036 local terms energy: -16.194980 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.480 flat angles P-C4'-P energy: -1.311 tors. eta vs tors. theta energy: -1.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -23.231259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.231259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.231259 (E_RNA) where: Base-Base interactions energy: -4.385 where: short stacking energy: -4.385 Base-Backbone interact. energy: -0.085 local terms energy: -18.760924 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.681 flat angles P-C4'-P energy: -1.605 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: 8, replica: 10 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -20.669693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.669693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.669693 (E_RNA) where: Base-Base interactions energy: -3.910 where: short stacking energy: -3.910 Base-Backbone interact. energy: -0.009 local terms energy: -16.751271 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -3.907 flat angles P-C4'-P energy: -2.576 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: 9, replica: 3 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -20.431135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.431135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.431135 (E_RNA) where: Base-Base interactions energy: -6.100 where: short stacking energy: -6.100 Base-Backbone interact. energy: -0.099 local terms energy: -14.232348 where: bonds (distance) C4'-P energy: -3.322 bonds (distance) P-C4' energy: -3.944 flat angles C4'-P-C4' energy: -4.486 flat angles P-C4'-P energy: -2.290 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: 10, replica: 7 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -22.164845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.164845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.164845 (E_RNA) where: Base-Base interactions energy: -6.516 where: short stacking energy: -6.516 Base-Backbone interact. energy: -0.000 local terms energy: -15.648989 where: bonds (distance) C4'-P energy: -3.673 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -3.115 flat angles P-C4'-P energy: -3.454 tors. eta vs tors. theta energy: -0.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -28.441279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.441279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.441279 (E_RNA) where: Base-Base interactions energy: -9.498 where: short stacking energy: -9.498 Base-Backbone interact. energy: -0.001 local terms energy: -18.942675 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.331 flat angles P-C4'-P energy: -3.022 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: 4 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -28.655115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.655115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.655115 (E_RNA) where: Base-Base interactions energy: -9.425 where: short stacking energy: -9.425 Base-Backbone interact. energy: -0.000 local terms energy: -19.229409 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.865 flat angles P-C4'-P energy: -3.370 tors. eta vs tors. theta energy: -2.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -27.834798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.834798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.834798 (E_RNA) where: Base-Base interactions energy: -10.937 where: short stacking energy: -10.937 Base-Backbone interact. energy: -0.000 local terms energy: -16.897458 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -2.518 flat angles C4'-P-C4' energy: -4.647 flat angles P-C4'-P energy: -2.914 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: 4, replica: 8 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -25.631506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.631506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.631506 (E_RNA) where: Base-Base interactions energy: -8.932 where: short stacking energy: -8.932 Base-Backbone interact. energy: -0.000 local terms energy: -16.699709 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.205 flat angles C4'-P-C4' energy: -4.468 flat angles P-C4'-P energy: -3.087 tors. eta vs tors. theta energy: -0.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -25.630927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.630927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.630927 (E_RNA) where: Base-Base interactions energy: -9.650 where: short stacking energy: -9.650 Base-Backbone interact. energy: -0.000 local terms energy: -15.980429 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -4.575 flat angles C4'-P-C4' energy: -3.946 flat angles P-C4'-P energy: -1.894 tors. eta vs tors. theta energy: -2.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -22.893045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.893045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.893045 (E_RNA) where: Base-Base interactions energy: -6.560 where: short stacking energy: -6.560 Base-Backbone interact. energy: -0.001 local terms energy: -16.331770 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.314 flat angles C4'-P-C4' energy: -4.521 flat angles P-C4'-P energy: -4.042 tors. eta vs tors. theta energy: 0.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -23.114775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.114775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.114775 (E_RNA) where: Base-Base interactions energy: -7.235 where: short stacking energy: -7.235 Base-Backbone interact. energy: -0.165 local terms energy: -15.714704 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -2.578 flat angles P-C4'-P energy: -2.654 tors. eta vs tors. theta energy: -2.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -22.381055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.381055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.381055 (E_RNA) where: Base-Base interactions energy: -9.757 where: short stacking energy: -9.757 Base-Backbone interact. energy: -1.182 local terms energy: -11.441641 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -3.748 flat angles C4'-P-C4' energy: -2.351 flat angles P-C4'-P energy: 0.272 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: 10 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -24.965605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.965605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.965605 (E_RNA) where: Base-Base interactions energy: -5.673 where: short stacking energy: -5.673 Base-Backbone interact. energy: -0.000 local terms energy: -19.293067 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -3.364 flat angles C4'-P-C4' energy: -4.767 flat angles P-C4'-P energy: -2.719 tors. eta vs tors. theta energy: -4.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -19.347265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.347265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.347265 (E_RNA) where: Base-Base interactions energy: -5.243 where: short stacking energy: -5.243 Base-Backbone interact. energy: -0.000 local terms energy: -14.103801 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -3.726 flat angles P-C4'-P energy: -2.234 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: 4 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -26.694672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.694672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.694672 (E_RNA) where: Base-Base interactions energy: -8.001 where: short stacking energy: -8.001 Base-Backbone interact. energy: -0.000 local terms energy: -18.694059 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.330 flat angles P-C4'-P energy: -3.862 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: 2, replica: 6 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -27.681163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.681163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.681163 (E_RNA) where: Base-Base interactions energy: -8.440 where: short stacking energy: -8.440 Base-Backbone interact. energy: -0.001 local terms energy: -19.240979 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.004 flat angles P-C4'-P energy: -2.185 tors. eta vs tors. theta energy: -3.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -25.511166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.511166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.511166 (E_RNA) where: Base-Base interactions energy: -8.003 where: short stacking energy: -8.003 Base-Backbone interact. energy: -0.016 local terms energy: -17.492858 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.237 flat angles P-C4'-P energy: -3.007 tors. eta vs tors. theta energy: -1.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -30.599172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.599172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.599172 (E_RNA) where: Base-Base interactions energy: -11.200 where: short stacking energy: -11.200 Base-Backbone interact. energy: -0.000 local terms energy: -19.399516 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -4.130 flat angles P-C4'-P energy: -2.152 tors. eta vs tors. theta energy: -5.151 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: 2 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -24.545429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.545429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.545429 (E_RNA) where: Base-Base interactions energy: -10.323 where: short stacking energy: -10.323 Base-Backbone interact. energy: -0.000 local terms energy: -14.222604 where: bonds (distance) C4'-P energy: -3.301 bonds (distance) P-C4' energy: -2.413 flat angles C4'-P-C4' energy: -4.717 flat angles P-C4'-P energy: -3.270 tors. eta vs tors. theta energy: -0.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -23.537428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.537428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.537428 (E_RNA) where: Base-Base interactions energy: -7.914 where: short stacking energy: -7.914 Base-Backbone interact. energy: -0.005 local terms energy: -15.618079 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.833 flat angles P-C4'-P energy: -1.789 tors. eta vs tors. theta energy: -0.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -27.909041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.909041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.909041 (E_RNA) where: Base-Base interactions energy: -11.111 where: short stacking energy: -11.111 Base-Backbone interact. energy: -0.000 local terms energy: -16.798389 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -1.914 flat angles P-C4'-P energy: -1.831 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: 8, replica: 9 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -24.193697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.193697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.193697 (E_RNA) where: Base-Base interactions energy: -8.038 where: short stacking energy: -8.038 Base-Backbone interact. energy: -0.001 local terms energy: -16.155148 where: bonds (distance) C4'-P energy: -2.804 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -3.821 flat angles P-C4'-P energy: -3.492 tors. eta vs tors. theta energy: -1.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -26.904321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.904321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.904321 (E_RNA) where: Base-Base interactions energy: -8.632 where: short stacking energy: -8.632 Base-Backbone interact. energy: -0.017 local terms energy: -18.255389 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -2.873 flat angles C4'-P-C4' energy: -4.130 flat angles P-C4'-P energy: -3.873 tors. eta vs tors. theta energy: -2.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -20.122690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.122690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.122690 (E_RNA) where: Base-Base interactions energy: -6.325 where: short stacking energy: -6.325 Base-Backbone interact. energy: -0.007 local terms energy: -13.790914 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -3.578 flat angles C4'-P-C4' energy: -4.191 flat angles P-C4'-P energy: -3.350 tors. eta vs tors. theta energy: 0.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -29.158478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.158478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.158478 (E_RNA) where: Base-Base interactions energy: -9.651 where: short stacking energy: -9.651 Base-Backbone interact. energy: -0.008 local terms energy: -19.499453 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.325 flat angles P-C4'-P energy: -2.875 tors. eta vs tors. theta energy: -3.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -26.128773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.128773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.128773 (E_RNA) where: Base-Base interactions energy: -8.439 where: short stacking energy: -8.439 Base-Backbone interact. energy: -0.000 local terms energy: -17.689985 where: bonds (distance) C4'-P energy: -4.171 bonds (distance) P-C4' energy: -4.659 flat angles C4'-P-C4' energy: -3.553 flat angles P-C4'-P energy: -3.299 tors. eta vs tors. theta energy: -2.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -24.381252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.381252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.381252 (E_RNA) where: Base-Base interactions energy: -8.915 where: short stacking energy: -8.915 Base-Backbone interact. energy: -0.000 local terms energy: -15.466268 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -3.186 flat angles P-C4'-P energy: -2.826 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: 4, replica: 2 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -23.996313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.996313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.996313 (E_RNA) where: Base-Base interactions energy: -6.868 where: short stacking energy: -6.868 Base-Backbone interact. energy: -0.000 local terms energy: -17.128470 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -3.866 flat angles P-C4'-P energy: -3.195 tors. eta vs tors. theta energy: -1.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -23.962744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.962744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.962744 (E_RNA) where: Base-Base interactions energy: -7.594 where: short stacking energy: -7.594 Base-Backbone interact. energy: -0.002 local terms energy: -16.366387 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.643 flat angles P-C4'-P energy: -2.895 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: 6, replica: 3 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -22.747926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.747926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.747926 (E_RNA) where: Base-Base interactions energy: -7.081 where: short stacking energy: -7.081 Base-Backbone interact. energy: -0.010 local terms energy: -15.656776 where: bonds (distance) C4'-P energy: -2.859 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.197 flat angles P-C4'-P energy: -2.958 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: 7, replica: 5 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -23.928157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.928157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.928157 (E_RNA) where: Base-Base interactions energy: -7.779 where: short stacking energy: -7.779 Base-Backbone interact. energy: -0.000 local terms energy: -16.149196 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -3.907 flat angles P-C4'-P energy: -3.097 tors. eta vs tors. theta energy: -0.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -21.111184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.111184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.111184 (E_RNA) where: Base-Base interactions energy: -4.411 where: short stacking energy: -4.411 Base-Backbone interact. energy: -0.003 local terms energy: -16.696547 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -4.167 flat angles P-C4'-P energy: -1.163 tors. eta vs tors. theta energy: -2.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -22.737238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.737238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.737238 (E_RNA) where: Base-Base interactions energy: -7.681 where: short stacking energy: -7.681 Base-Backbone interact. energy: -0.003 local terms energy: -15.053985 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -3.981 flat angles C4'-P-C4' energy: -2.117 flat angles P-C4'-P energy: -3.215 tors. eta vs tors. theta energy: -1.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -21.046943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.046943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.046943 (E_RNA) where: Base-Base interactions energy: -6.192 where: short stacking energy: -6.192 Base-Backbone interact. energy: -0.001 local terms energy: -14.853910 where: bonds (distance) C4'-P energy: -3.152 bonds (distance) P-C4' energy: -3.548 flat angles C4'-P-C4' energy: -4.555 flat angles P-C4'-P energy: -3.129 tors. eta vs tors. theta energy: -0.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -25.858964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.858964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.858964 (E_RNA) where: Base-Base interactions energy: -7.958 where: short stacking energy: -7.958 Base-Backbone interact. energy: -0.023 local terms energy: -17.877754 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.726 flat angles P-C4'-P energy: -3.672 tors. eta vs tors. theta energy: -0.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -29.288746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.288746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.288746 (E_RNA) where: Base-Base interactions energy: -8.516 where: short stacking energy: -8.609 Base-Backbone interact. energy: -1.624 local terms energy: -19.148807 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.574 flat angles P-C4'-P energy: -3.816 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: 3, replica: 2 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -29.173482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.173482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.173482 (E_RNA) where: Base-Base interactions energy: -10.947 where: short stacking energy: -10.947 Base-Backbone interact. energy: -0.001 local terms energy: -18.225492 where: bonds (distance) C4'-P energy: -2.962 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.609 flat angles P-C4'-P energy: -2.001 tors. eta vs tors. theta energy: -3.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -28.312213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.312213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.312213 (E_RNA) where: Base-Base interactions energy: -10.331 where: short stacking energy: -10.331 Base-Backbone interact. energy: -0.001 local terms energy: -17.980993 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.229 flat angles P-C4'-P energy: -2.639 tors. eta vs tors. theta energy: -1.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -24.561682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.561682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.561682 (E_RNA) where: Base-Base interactions energy: -7.025 where: short stacking energy: -7.025 Base-Backbone interact. energy: -0.002 local terms energy: -17.534404 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.689 flat angles P-C4'-P energy: -3.938 tors. eta vs tors. theta energy: -0.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -24.748492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.748492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.748492 (E_RNA) where: Base-Base interactions energy: -5.927 where: short stacking energy: -5.927 Base-Backbone interact. energy: -0.709 local terms energy: -18.112416 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -1.967 flat angles P-C4'-P energy: -3.854 tors. eta vs tors. theta energy: -2.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -23.213840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.213840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.213840 (E_RNA) where: Base-Base interactions energy: -7.484 where: short stacking energy: -7.484 Base-Backbone interact. energy: -0.006 local terms energy: -15.723772 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -1.653 flat angles P-C4'-P energy: -3.663 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: 8, replica: 7 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -25.383393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.383393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.383393 (E_RNA) where: Base-Base interactions energy: -4.906 where: short stacking energy: -4.906 Base-Backbone interact. energy: -0.000 local terms energy: -20.477816 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.274 flat angles P-C4'-P energy: -3.950 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: 10 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -26.484120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.484120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.484120 (E_RNA) where: Base-Base interactions energy: -10.125 where: short stacking energy: -10.125 Base-Backbone interact. energy: -0.000 local terms energy: -16.359074 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -3.321 flat angles C4'-P-C4' energy: -4.202 flat angles P-C4'-P energy: -1.585 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: 10, replica: 9 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -20.730052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.730052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.730052 (E_RNA) where: Base-Base interactions energy: -3.268 where: short stacking energy: -3.268 Base-Backbone interact. energy: -0.002 local terms energy: -17.460893 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.767 flat angles P-C4'-P energy: -3.322 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: 1, replica: 6 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -28.657804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.657804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.657804 (E_RNA) where: Base-Base interactions energy: -11.385 where: short stacking energy: -11.385 Base-Backbone interact. energy: -0.000 local terms energy: -17.272911 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -2.744 flat angles C4'-P-C4' energy: -3.695 flat angles P-C4'-P energy: -3.854 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: 2, replica: 2 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -28.838379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.838379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.838379 (E_RNA) where: Base-Base interactions energy: -10.624 where: short stacking energy: -10.624 Base-Backbone interact. energy: -0.000 local terms energy: -18.214684 where: bonds (distance) C4'-P energy: -3.380 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.784 flat angles P-C4'-P energy: -1.439 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: 3, replica: 4 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -25.480483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.480483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.480483 (E_RNA) where: Base-Base interactions energy: -7.918 where: short stacking energy: -7.918 Base-Backbone interact. energy: -0.000 local terms energy: -17.562130 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.346 flat angles P-C4'-P energy: -2.395 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: 4, replica: 3 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -29.721957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.721957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.721957 (E_RNA) where: Base-Base interactions energy: -12.005 where: short stacking energy: -12.005 Base-Backbone interact. energy: -0.000 local terms energy: -17.716771 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.814 flat angles P-C4'-P energy: -2.086 tors. eta vs tors. theta energy: -1.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -19.961396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.961396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.961396 (E_RNA) where: Base-Base interactions energy: -3.195 where: short stacking energy: -3.544 Base-Backbone interact. energy: -0.152 local terms energy: -16.614233 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.152 flat angles P-C4'-P energy: -2.389 tors. eta vs tors. theta energy: -0.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -22.315008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.315008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.315008 (E_RNA) where: Base-Base interactions energy: -9.575 where: short stacking energy: -9.575 Base-Backbone interact. energy: -0.000 local terms energy: -12.739679 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -0.486 flat angles P-C4'-P energy: -2.206 tors. eta vs tors. theta energy: -1.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -24.467396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.467396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.467396 (E_RNA) where: Base-Base interactions energy: -8.045 where: short stacking energy: -8.045 Base-Backbone interact. energy: -0.001 local terms energy: -16.421725 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.077 flat angles P-C4'-P energy: -2.866 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: 8, replica: 10 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -22.146101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.146101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.146101 (E_RNA) where: Base-Base interactions energy: -7.939 where: short stacking energy: -7.939 Base-Backbone interact. energy: -0.002 local terms energy: -14.205026 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -2.649 flat angles C4'-P-C4' energy: -4.683 flat angles P-C4'-P energy: -1.833 tors. eta vs tors. theta energy: -1.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -21.497882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.497882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.497882 (E_RNA) where: Base-Base interactions energy: -6.806 where: short stacking energy: -6.806 Base-Backbone interact. energy: -0.000 local terms energy: -14.692057 where: bonds (distance) C4'-P energy: -3.202 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.253 flat angles P-C4'-P energy: -2.010 tors. eta vs tors. theta energy: -0.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -24.153849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.153849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.153849 (E_RNA) where: Base-Base interactions energy: -7.357 where: short stacking energy: -7.357 Base-Backbone interact. energy: -0.004 local terms energy: -16.792329 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.044 flat angles C4'-P-C4' energy: -4.661 flat angles P-C4'-P energy: -1.942 tors. eta vs tors. theta energy: -1.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -29.029842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.029842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.029842 (E_RNA) where: Base-Base interactions energy: -10.540 where: short stacking energy: -10.540 Base-Backbone interact. energy: -0.000 local terms energy: -18.489976 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -3.817 flat angles P-C4'-P energy: -2.340 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: 6 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -25.481700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.481700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.481700 (E_RNA) where: Base-Base interactions energy: -7.864 where: short stacking energy: -7.864 Base-Backbone interact. energy: -0.372 local terms energy: -17.245133 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.133 flat angles P-C4'-P energy: -2.688 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: 3, replica: 3 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -25.134688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.134688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.134688 (E_RNA) where: Base-Base interactions energy: -8.140 where: short stacking energy: -8.140 Base-Backbone interact. energy: -0.000 local terms energy: -16.994511 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.784 flat angles P-C4'-P energy: -3.299 tors. eta vs tors. theta energy: 0.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -29.194937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.194937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.194937 (E_RNA) where: Base-Base interactions energy: -11.698 where: short stacking energy: -11.698 Base-Backbone interact. energy: -0.007 local terms energy: -17.490169 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -2.796 flat angles P-C4'-P energy: -1.793 tors. eta vs tors. theta energy: -3.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -22.193313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.193313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.193313 (E_RNA) where: Base-Base interactions energy: -7.859 where: short stacking energy: -7.859 Base-Backbone interact. energy: -0.193 local terms energy: -14.140734 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.874 flat angles P-C4'-P energy: -2.116 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: 6, replica: 8 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -23.589161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.589161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.589161 (E_RNA) where: Base-Base interactions energy: -7.244 where: short stacking energy: -7.244 Base-Backbone interact. energy: -0.015 local terms energy: -16.330381 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -2.877 flat angles C4'-P-C4' energy: -4.502 flat angles P-C4'-P energy: -3.786 tors. eta vs tors. theta energy: -0.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -29.288721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.288721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.288721 (E_RNA) where: Base-Base interactions energy: -12.123 where: short stacking energy: -12.123 Base-Backbone interact. energy: -0.000 local terms energy: -17.166170 where: bonds (distance) C4'-P energy: -1.869 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.101 flat angles P-C4'-P energy: -1.855 tors. eta vs tors. theta energy: -4.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -22.338307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.338307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.338307 (E_RNA) where: Base-Base interactions energy: -6.773 where: short stacking energy: -6.773 Base-Backbone interact. energy: -0.028 local terms energy: -15.537119 where: bonds (distance) C4'-P energy: -3.947 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.214 flat angles P-C4'-P energy: -2.618 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: 9, replica: 9 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -22.215565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.215565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.215565 (E_RNA) where: Base-Base interactions energy: -5.465 where: short stacking energy: -5.465 Base-Backbone interact. energy: -0.000 local terms energy: -16.750652 where: bonds (distance) C4'-P energy: -3.442 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.690 flat angles P-C4'-P energy: -2.108 tors. eta vs tors. theta energy: -2.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -20.757985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.757985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.757985 (E_RNA) where: Base-Base interactions energy: -4.088 where: short stacking energy: -4.088 Base-Backbone interact. energy: -0.000 local terms energy: -16.670179 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -2.677 flat angles C4'-P-C4' energy: -4.555 flat angles P-C4'-P energy: -3.021 tors. eta vs tors. theta energy: -2.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -25.501867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.501867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.501867 (E_RNA) where: Base-Base interactions energy: -7.722 where: short stacking energy: -7.722 Base-Backbone interact. energy: -0.033 local terms energy: -17.747461 where: bonds (distance) C4'-P energy: -3.078 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.118 flat angles P-C4'-P energy: -2.526 tors. eta vs tors. theta energy: -2.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -28.866548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.866548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.866548 (E_RNA) where: Base-Base interactions energy: -11.251 where: short stacking energy: -11.251 Base-Backbone interact. energy: -0.000 local terms energy: -17.615259 where: bonds (distance) C4'-P energy: -2.387 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.574 flat angles P-C4'-P energy: -3.625 tors. eta vs tors. theta energy: -2.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -25.047380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.047380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.047380 (E_RNA) where: Base-Base interactions energy: -8.138 where: short stacking energy: -8.138 Base-Backbone interact. energy: -0.000 local terms energy: -16.909794 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.831 flat angles P-C4'-P energy: -2.555 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: 5 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -25.775989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.775989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.775989 (E_RNA) where: Base-Base interactions energy: -9.628 where: short stacking energy: -9.628 Base-Backbone interact. energy: -0.012 local terms energy: -16.135608 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.246 flat angles P-C4'-P energy: -3.007 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: 259 Temperature: 1.100000 Total energy: -27.384051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.384051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.384051 (E_RNA) where: Base-Base interactions energy: -8.808 where: short stacking energy: -8.808 Base-Backbone interact. energy: -0.076 local terms energy: -18.499734 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.278 flat angles P-C4'-P energy: -3.862 tors. eta vs tors. theta energy: -1.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -24.624903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.624903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.624903 (E_RNA) where: Base-Base interactions energy: -8.038 where: short stacking energy: -8.038 Base-Backbone interact. energy: -0.000 local terms energy: -16.587009 where: bonds (distance) C4'-P energy: -3.583 bonds (distance) P-C4' energy: -5.104 flat angles C4'-P-C4' energy: -1.995 flat angles P-C4'-P energy: -3.278 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: 7, replica: 8 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -21.541814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.541814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.541814 (E_RNA) where: Base-Base interactions energy: -8.472 where: short stacking energy: -8.472 Base-Backbone interact. energy: 0.028 local terms energy: -13.097863 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -2.010 flat angles P-C4'-P energy: -1.231 tors. eta vs tors. theta energy: -1.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -21.941118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.941118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.941118 (E_RNA) where: Base-Base interactions energy: -3.814 where: short stacking energy: -3.814 Base-Backbone interact. energy: -0.000 local terms energy: -18.127530 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -4.573 flat angles P-C4'-P energy: -3.036 tors. eta vs tors. theta energy: -2.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -24.559055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.559055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.559055 (E_RNA) where: Base-Base interactions energy: -8.002 where: short stacking energy: -8.002 Base-Backbone interact. energy: -0.001 local terms energy: -16.555893 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -2.913 flat angles P-C4'-P energy: -3.491 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: 259 Temperature: 1.350000 Total energy: -21.824860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.824860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.824860 (E_RNA) where: Base-Base interactions energy: -6.593 where: short stacking energy: -6.593 Base-Backbone interact. energy: -0.000 local terms energy: -15.231405 where: bonds (distance) C4'-P energy: -1.108 bonds (distance) P-C4' energy: -4.343 flat angles C4'-P-C4' energy: -4.502 flat angles P-C4'-P energy: -2.399 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: 1, replica: 2 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -27.557678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.557678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.557678 (E_RNA) where: Base-Base interactions energy: -8.566 where: short stacking energy: -8.566 Base-Backbone interact. energy: -1.053 local terms energy: -17.939555 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -3.821 flat angles P-C4'-P energy: -3.618 tors. eta vs tors. theta energy: -1.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -32.718068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.718068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.718068 (E_RNA) where: Base-Base interactions energy: -12.731 where: short stacking energy: -12.731 Base-Backbone interact. energy: -0.000 local terms energy: -19.987446 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -4.530 flat angles P-C4'-P energy: -3.513 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: 3, replica: 5 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -28.391726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.391726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.391726 (E_RNA) where: Base-Base interactions energy: -6.933 where: short stacking energy: -6.933 Base-Backbone interact. energy: -0.000 local terms energy: -21.459057 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -4.336 flat angles C4'-P-C4' energy: -3.830 flat angles P-C4'-P energy: -3.862 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: 4, replica: 6 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -23.601724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.601724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.601724 (E_RNA) where: Base-Base interactions energy: -6.041 where: short stacking energy: -6.041 Base-Backbone interact. energy: -0.000 local terms energy: -17.561067 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.466 flat angles P-C4'-P energy: -2.362 tors. eta vs tors. theta energy: -2.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -24.806028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.806028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.806028 (E_RNA) where: Base-Base interactions energy: -8.157 where: short stacking energy: -8.157 Base-Backbone interact. energy: -0.000 local terms energy: -16.648932 where: bonds (distance) C4'-P energy: -2.680 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.364 flat angles P-C4'-P energy: -4.002 tors. eta vs tors. theta energy: -1.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -24.787387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.787387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.787387 (E_RNA) where: Base-Base interactions energy: -10.064 where: short stacking energy: -10.064 Base-Backbone interact. energy: -0.000 local terms energy: -14.723504 where: bonds (distance) C4'-P energy: -0.701 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -4.101 flat angles P-C4'-P energy: -1.756 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: 7, replica: 9 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -21.850040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.850040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.850040 (E_RNA) where: Base-Base interactions energy: -7.742 where: short stacking energy: -7.742 Base-Backbone interact. energy: -0.000 local terms energy: -14.107531 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -4.770 flat angles P-C4'-P energy: -0.537 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: 8, replica: 8 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -19.593742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.593742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.593742 (E_RNA) where: Base-Base interactions energy: -4.213 where: short stacking energy: -4.213 Base-Backbone interact. energy: 0.145 local terms energy: -15.525819 where: bonds (distance) C4'-P energy: -3.673 bonds (distance) P-C4' energy: -4.051 flat angles C4'-P-C4' energy: -4.168 flat angles P-C4'-P energy: -1.023 tors. eta vs tors. theta energy: -2.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -25.581804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.581804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.581804 (E_RNA) where: Base-Base interactions energy: -8.178 where: short stacking energy: -8.178 Base-Backbone interact. energy: -0.000 local terms energy: -17.403616 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -4.610 flat angles P-C4'-P energy: -3.976 tors. eta vs tors. theta energy: -0.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -20.714279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.714279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.714279 (E_RNA) where: Base-Base interactions energy: -2.766 where: short stacking energy: -2.766 Base-Backbone interact. energy: -0.000 local terms energy: -17.948440 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -2.739 flat angles P-C4'-P energy: -3.395 tors. eta vs tors. theta energy: -2.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -25.473320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.473320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.473320 (E_RNA) where: Base-Base interactions energy: -8.126 where: short stacking energy: -8.126 Base-Backbone interact. energy: -0.000 local terms energy: -17.347136 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.203 flat angles P-C4'-P energy: -3.136 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: 2, replica: 5 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -31.655086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.655086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.655086 (E_RNA) where: Base-Base interactions energy: -11.015 where: short stacking energy: -11.015 Base-Backbone interact. energy: -0.000 local terms energy: -20.640464 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -3.904 flat angles P-C4'-P energy: -3.574 tors. eta vs tors. theta energy: -4.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -26.198339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.198339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.198339 (E_RNA) where: Base-Base interactions energy: -7.067 where: short stacking energy: -7.067 Base-Backbone interact. energy: -0.000 local terms energy: -19.131507 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.209 flat angles P-C4'-P energy: -2.508 tors. eta vs tors. theta energy: -3.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -24.572510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.572510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.572510 (E_RNA) where: Base-Base interactions energy: -4.247 where: short stacking energy: -4.247 Base-Backbone interact. energy: -0.000 local terms energy: -20.325881 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.136 flat angles P-C4'-P energy: -3.880 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: 5, replica: 10 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -23.673693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.673693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.673693 (E_RNA) where: Base-Base interactions energy: -7.182 where: short stacking energy: -7.182 Base-Backbone interact. energy: -0.000 local terms energy: -16.491858 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -2.278 flat angles C4'-P-C4' energy: -4.325 flat angles P-C4'-P energy: -2.771 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: 6, replica: 9 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -25.293028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.293028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.293028 (E_RNA) where: Base-Base interactions energy: -8.081 where: short stacking energy: -8.081 Base-Backbone interact. energy: -0.000 local terms energy: -17.212448 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.275 flat angles P-C4'-P energy: -2.559 tors. eta vs tors. theta energy: -0.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -21.709982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.709982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.709982 (E_RNA) where: Base-Base interactions energy: -4.150 where: short stacking energy: -4.150 Base-Backbone interact. energy: -0.009 local terms energy: -17.550643 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.219 flat angles P-C4'-P energy: -2.985 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: 261 Temperature: 1.250000 Total energy: -22.850952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.850952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.850952 (E_RNA) where: Base-Base interactions energy: -7.072 where: short stacking energy: -7.072 Base-Backbone interact. energy: -0.047 local terms energy: -15.732062 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -4.203 flat angles P-C4'-P energy: -1.994 tors. eta vs tors. theta energy: -1.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -20.595603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.595603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.595603 (E_RNA) where: Base-Base interactions energy: -3.779 where: short stacking energy: -3.779 Base-Backbone interact. energy: -0.001 local terms energy: -16.815609 where: bonds (distance) C4'-P energy: -3.264 bonds (distance) P-C4' energy: -4.413 flat angles C4'-P-C4' energy: -3.734 flat angles P-C4'-P energy: -3.871 tors. eta vs tors. theta energy: -1.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -25.171142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.171142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.171142 (E_RNA) where: Base-Base interactions energy: -8.319 where: short stacking energy: -8.319 Base-Backbone interact. energy: -0.001 local terms energy: -16.851966 where: bonds (distance) C4'-P energy: -3.708 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -4.432 flat angles P-C4'-P energy: -3.739 tors. eta vs tors. theta energy: -0.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -28.456462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.456462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.456462 (E_RNA) where: Base-Base interactions energy: -10.775 where: short stacking energy: -10.775 Base-Backbone interact. energy: -0.000 local terms energy: -17.681268 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -3.345 flat angles C4'-P-C4' energy: -3.024 flat angles P-C4'-P energy: -3.890 tors. eta vs tors. theta energy: -3.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -23.951074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.951074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.951074 (E_RNA) where: Base-Base interactions energy: -6.659 where: short stacking energy: -6.659 Base-Backbone interact. energy: -0.089 local terms energy: -17.203178 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.519 flat angles P-C4'-P energy: -3.101 tors. eta vs tors. theta energy: -0.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -25.141564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.141564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.141564 (E_RNA) where: Base-Base interactions energy: -6.978 where: short stacking energy: -6.978 Base-Backbone interact. energy: -0.000 local terms energy: -18.163226 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -3.811 flat angles C4'-P-C4' energy: -4.095 flat angles P-C4'-P energy: -4.006 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: 4, replica: 3 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -24.229720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.229720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.229720 (E_RNA) where: Base-Base interactions energy: -7.640 where: short stacking energy: -7.640 Base-Backbone interact. energy: -0.096 local terms energy: -16.493657 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.809 flat angles P-C4'-P energy: -2.406 tors. eta vs tors. theta energy: -0.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -22.808657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.808657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.808657 (E_RNA) where: Base-Base interactions energy: -7.100 where: short stacking energy: -7.100 Base-Backbone interact. energy: -0.021 local terms energy: -15.687670 where: bonds (distance) C4'-P energy: -3.277 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.941 flat angles P-C4'-P energy: -2.308 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: 6, replica: 10 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -27.211310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.211310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.211310 (E_RNA) where: Base-Base interactions energy: -8.591 where: short stacking energy: -8.591 Base-Backbone interact. energy: -0.001 local terms energy: -18.619366 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.828 flat angles P-C4'-P energy: -3.392 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: 7, replica: 7 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -22.962671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.962671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.962671 (E_RNA) where: Base-Base interactions energy: -6.098 where: short stacking energy: -6.098 Base-Backbone interact. energy: -0.003 local terms energy: -16.861274 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -4.234 flat angles P-C4'-P energy: -2.791 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: 4 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -25.675462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.675462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.675462 (E_RNA) where: Base-Base interactions energy: -7.820 where: short stacking energy: -7.820 Base-Backbone interact. energy: -0.009 local terms energy: -17.846306 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -3.393 flat angles P-C4'-P energy: -2.641 tors. eta vs tors. theta energy: -2.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -22.580061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.580061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.580061 (E_RNA) where: Base-Base interactions energy: -8.372 where: short stacking energy: -8.372 Base-Backbone interact. energy: -0.007 local terms energy: -14.201583 where: bonds (distance) C4'-P energy: -2.085 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -3.641 flat angles P-C4'-P energy: -1.996 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: 10, replica: 8 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -20.015607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.015607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.015607 (E_RNA) where: Base-Base interactions energy: -3.937 where: short stacking energy: -3.937 Base-Backbone interact. energy: -0.000 local terms energy: -16.078269 where: bonds (distance) C4'-P energy: -3.045 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.836 flat angles P-C4'-P energy: -2.962 tors. eta vs tors. theta energy: -1.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -31.175588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.175588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.175588 (E_RNA) where: Base-Base interactions energy: -10.908 where: short stacking energy: -10.908 Base-Backbone interact. energy: -0.000 local terms energy: -20.267692 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.894 flat angles P-C4'-P energy: -1.969 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: 2, replica: 6 ===================================== Write number: 263 Temperature: 0.950000 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: -11.386 where: short stacking energy: -11.386 Base-Backbone interact. energy: -0.001 local terms energy: -18.150530 where: bonds (distance) C4'-P energy: -3.322 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.313 flat angles P-C4'-P energy: -2.610 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: 3, replica: 2 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -24.523616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.523616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.523616 (E_RNA) where: Base-Base interactions energy: -7.796 where: short stacking energy: -7.796 Base-Backbone interact. energy: -0.000 local terms energy: -16.727024 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.383 flat angles P-C4'-P energy: -2.591 tors. eta vs tors. theta energy: -0.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -21.087142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.087142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.087142 (E_RNA) where: Base-Base interactions energy: -6.268 where: short stacking energy: -6.268 Base-Backbone interact. energy: -0.081 local terms energy: -14.738174 where: bonds (distance) C4'-P energy: -2.565 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.004 flat angles P-C4'-P energy: -2.885 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: 5, replica: 3 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -23.890510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.890510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.890510 (E_RNA) where: Base-Base interactions energy: -7.574 where: short stacking energy: -7.574 Base-Backbone interact. energy: -0.000 local terms energy: -16.316311 where: bonds (distance) C4'-P energy: -3.194 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.572 flat angles P-C4'-P energy: -1.331 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: 6, replica: 7 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -22.906415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.906415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.906415 (E_RNA) where: Base-Base interactions energy: -5.564 where: short stacking energy: -5.564 Base-Backbone interact. energy: -0.006 local terms energy: -17.335714 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.829 flat angles P-C4'-P energy: -3.605 tors. eta vs tors. theta energy: -0.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -22.722772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.722772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.722772 (E_RNA) where: Base-Base interactions energy: -5.491 where: short stacking energy: -5.491 Base-Backbone interact. energy: -0.052 local terms energy: -17.179352 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.137 flat angles P-C4'-P energy: -3.548 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: 8, replica: 1 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -20.980357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.980357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.980357 (E_RNA) where: Base-Base interactions energy: -3.432 where: short stacking energy: -3.432 Base-Backbone interact. energy: -0.159 local terms energy: -17.389929 where: bonds (distance) C4'-P energy: -3.683 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.963 flat angles P-C4'-P energy: -3.607 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: 9, replica: 4 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -23.609630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.609630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.609630 (E_RNA) where: Base-Base interactions energy: -4.741 where: short stacking energy: -4.741 Base-Backbone interact. energy: -0.054 local terms energy: -18.815089 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.712 flat angles P-C4'-P energy: -3.593 tors. eta vs tors. theta energy: -2.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -24.596054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.596054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.596054 (E_RNA) where: Base-Base interactions energy: -7.012 where: short stacking energy: -7.012 Base-Backbone interact. energy: -0.000 local terms energy: -17.583856 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.799 flat angles P-C4'-P energy: -3.422 tors. eta vs tors. theta energy: -0.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -25.237130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.237130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.237130 (E_RNA) where: Base-Base interactions energy: -6.117 where: short stacking energy: -6.117 Base-Backbone interact. energy: -0.000 local terms energy: -19.120255 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.578 flat angles P-C4'-P energy: -2.047 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: 2, replica: 5 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -28.576269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.576269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.576269 (E_RNA) where: Base-Base interactions energy: -10.637 where: short stacking energy: -10.637 Base-Backbone interact. energy: -0.021 local terms energy: -17.917651 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -3.578 flat angles C4'-P-C4' energy: -4.573 flat angles P-C4'-P energy: -3.326 tors. eta vs tors. theta energy: -3.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -26.763741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.763741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.763741 (E_RNA) where: Base-Base interactions energy: -6.439 where: short stacking energy: -6.439 Base-Backbone interact. energy: -0.000 local terms energy: -20.325090 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.589 flat angles P-C4'-P energy: -3.417 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: 2 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -24.361010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.361010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.361010 (E_RNA) where: Base-Base interactions energy: -7.116 where: short stacking energy: -7.116 Base-Backbone interact. energy: -0.000 local terms energy: -17.244721 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.760 flat angles P-C4'-P energy: -2.967 tors. eta vs tors. theta energy: -2.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -22.332628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.332628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.332628 (E_RNA) where: Base-Base interactions energy: -7.506 where: short stacking energy: -7.506 Base-Backbone interact. energy: -0.071 local terms energy: -14.755180 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.753 flat angles P-C4'-P energy: -2.641 tors. eta vs tors. theta energy: 0.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -21.485265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.485265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.485265 (E_RNA) where: Base-Base interactions energy: -3.637 where: short stacking energy: -3.637 Base-Backbone interact. energy: -0.000 local terms energy: -17.848466 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.729 flat angles P-C4'-P energy: -2.484 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: 7, replica: 1 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -23.819533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.819533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.819533 (E_RNA) where: Base-Base interactions energy: -11.211 where: short stacking energy: -11.211 Base-Backbone interact. energy: -0.000 local terms energy: -12.608162 where: bonds (distance) C4'-P energy: -2.254 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: 0.371 flat angles P-C4'-P energy: -2.607 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: 8, replica: 10 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -21.553110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.553110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.553110 (E_RNA) where: Base-Base interactions energy: -8.634 where: short stacking energy: -8.634 Base-Backbone interact. energy: -0.002 local terms energy: -12.916571 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -3.131 flat angles C4'-P-C4' energy: -3.805 flat angles P-C4'-P energy: -1.133 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: 9, replica: 8 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -20.885055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.885055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.885055 (E_RNA) where: Base-Base interactions energy: -8.292 where: short stacking energy: -8.292 Base-Backbone interact. energy: -0.001 local terms energy: -12.591783 where: bonds (distance) C4'-P energy: -2.954 bonds (distance) P-C4' energy: -2.864 flat angles C4'-P-C4' energy: -4.575 flat angles P-C4'-P energy: -2.643 tors. eta vs tors. theta energy: 0.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -19.172964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.172964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.172964 (E_RNA) where: Base-Base interactions energy: -3.972 where: short stacking energy: -4.259 Base-Backbone interact. energy: -0.012 local terms energy: -15.188234 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.991 flat angles P-C4'-P energy: -3.127 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: 6 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -27.491516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.491516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.491516 (E_RNA) where: Base-Base interactions energy: -8.382 where: short stacking energy: -8.382 Base-Backbone interact. energy: -0.000 local terms energy: -19.109942 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.063 flat angles P-C4'-P energy: -3.853 tors. eta vs tors. theta energy: -2.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -29.098313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.098313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.098313 (E_RNA) where: Base-Base interactions energy: -10.968 where: short stacking energy: -10.968 Base-Backbone interact. energy: -0.000 local terms energy: -18.130577 where: bonds (distance) C4'-P energy: -4.279 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.916 flat angles P-C4'-P energy: -2.981 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: 3, replica: 5 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -23.257623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.257623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.257623 (E_RNA) where: Base-Base interactions energy: -7.419 where: short stacking energy: -7.419 Base-Backbone interact. energy: -0.007 local terms energy: -15.831633 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.009 flat angles P-C4'-P energy: -2.398 tors. eta vs tors. theta energy: -0.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -29.687186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.687186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.687186 (E_RNA) where: Base-Base interactions energy: -11.736 where: short stacking energy: -11.736 Base-Backbone interact. energy: -0.000 local terms energy: -17.951075 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.689 flat angles P-C4'-P energy: -2.986 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: 5, replica: 2 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -23.423087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.423087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.423087 (E_RNA) where: Base-Base interactions energy: -7.441 where: short stacking energy: -7.441 Base-Backbone interact. energy: -0.019 local terms energy: -15.962913 where: bonds (distance) C4'-P energy: -2.461 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -4.192 flat angles P-C4'-P energy: -3.636 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: 6, replica: 3 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -26.160394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.160394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.160394 (E_RNA) where: Base-Base interactions energy: -11.034 where: short stacking energy: -11.034 Base-Backbone interact. energy: -0.000 local terms energy: -15.125958 where: bonds (distance) C4'-P energy: -0.064 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.468 flat angles P-C4'-P energy: -3.085 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: 7, replica: 1 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -23.738409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.738409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.738409 (E_RNA) where: Base-Base interactions energy: -6.887 where: short stacking energy: -6.887 Base-Backbone interact. energy: -0.015 local terms energy: -16.836184 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.360 flat angles P-C4'-P energy: -3.461 tors. eta vs tors. theta energy: -1.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -20.946969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.946969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.946969 (E_RNA) where: Base-Base interactions energy: -3.529 where: short stacking energy: -3.529 Base-Backbone interact. energy: -0.140 local terms energy: -17.278085 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.155 flat angles P-C4'-P energy: -3.384 tors. eta vs tors. theta energy: -1.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -24.068080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.068080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.068080 (E_RNA) where: Base-Base interactions energy: -9.780 where: short stacking energy: -9.780 Base-Backbone interact. energy: -0.000 local terms energy: -14.288100 where: bonds (distance) C4'-P energy: 0.367 bonds (distance) P-C4' energy: -3.165 flat angles C4'-P-C4' energy: -4.505 flat angles P-C4'-P energy: -3.159 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: 10, replica: 4 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -21.988247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.988247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.988247 (E_RNA) where: Base-Base interactions energy: -6.901 where: short stacking energy: -6.901 Base-Backbone interact. energy: -0.033 local terms energy: -15.054044 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -3.548 flat angles C4'-P-C4' energy: -3.078 flat angles P-C4'-P energy: -3.221 tors. eta vs tors. theta energy: -0.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -31.046089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.046089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.046089 (E_RNA) where: Base-Base interactions energy: -11.163 where: short stacking energy: -11.163 Base-Backbone interact. energy: -0.000 local terms energy: -19.882914 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.253 flat angles P-C4'-P energy: -2.152 tors. eta vs tors. theta energy: -4.942 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: 6 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -25.767537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.767537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.767537 (E_RNA) where: Base-Base interactions energy: -7.907 where: short stacking energy: -7.907 Base-Backbone interact. energy: -0.000 local terms energy: -17.860722 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.609 flat angles P-C4'-P energy: -1.685 tors. eta vs tors. theta energy: -2.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -30.026973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.026973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.026973 (E_RNA) where: Base-Base interactions energy: -11.441 where: short stacking energy: -11.741 Base-Backbone interact. energy: -1.109 local terms energy: -17.477550 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -3.128 flat angles C4'-P-C4' energy: -4.061 flat angles P-C4'-P energy: -3.503 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: 4, replica: 5 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -25.487874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.487874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.487874 (E_RNA) where: Base-Base interactions energy: -7.795 where: short stacking energy: -7.795 Base-Backbone interact. energy: -0.000 local terms energy: -17.693171 where: bonds (distance) C4'-P energy: -3.450 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.130 flat angles P-C4'-P energy: -2.845 tors. eta vs tors. theta energy: -2.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -25.990512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.990512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.990512 (E_RNA) where: Base-Base interactions energy: -7.872 where: short stacking energy: -7.872 Base-Backbone interact. energy: -0.027 local terms energy: -18.090820 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.256 flat angles P-C4'-P energy: -2.910 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: 2 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -22.783103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.783103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.783103 (E_RNA) where: Base-Base interactions energy: -7.936 where: short stacking energy: -7.936 Base-Backbone interact. energy: -0.067 local terms energy: -14.780699 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.051 flat angles C4'-P-C4' energy: -1.849 flat angles P-C4'-P energy: -2.668 tors. eta vs tors. theta energy: -1.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -22.048957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.048957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.048957 (E_RNA) where: Base-Base interactions energy: -5.273 where: short stacking energy: -5.273 Base-Backbone interact. energy: -0.000 local terms energy: -16.776039 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.282 flat angles P-C4'-P energy: -3.013 tors. eta vs tors. theta energy: -1.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -24.976149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.976149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.976149 (E_RNA) where: Base-Base interactions energy: -7.238 where: short stacking energy: -7.238 Base-Backbone interact. energy: -0.000 local terms energy: -17.738104 where: bonds (distance) C4'-P energy: -2.027 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.628 flat angles P-C4'-P energy: -2.429 tors. eta vs tors. theta energy: -3.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -20.768209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.768209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.768209 (E_RNA) where: Base-Base interactions energy: -3.465 where: short stacking energy: -3.465 Base-Backbone interact. energy: -0.000 local terms energy: -17.303206 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.854 flat angles P-C4'-P energy: -0.754 tors. eta vs tors. theta energy: -2.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -22.081467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.081467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.081467 (E_RNA) where: Base-Base interactions energy: -6.914 where: short stacking energy: -6.914 Base-Backbone interact. energy: -0.000 local terms energy: -15.167395 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.666 flat angles P-C4'-P energy: -0.838 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: 1, replica: 9 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -29.694161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.694161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.694161 (E_RNA) where: Base-Base interactions energy: -11.001 where: short stacking energy: -11.001 Base-Backbone interact. energy: -0.000 local terms energy: -18.693112 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -3.582 flat angles C4'-P-C4' energy: -3.799 flat angles P-C4'-P energy: -3.785 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: 2, replica: 7 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -24.540218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.540218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.540218 (E_RNA) where: Base-Base interactions energy: -7.649 where: short stacking energy: -7.649 Base-Backbone interact. energy: -0.004 local terms energy: -16.886951 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -4.631 flat angles C4'-P-C4' energy: -4.221 flat angles P-C4'-P energy: -2.904 tors. eta vs tors. theta energy: -0.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -29.685279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.685279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.685279 (E_RNA) where: Base-Base interactions energy: -11.867 where: short stacking energy: -11.867 Base-Backbone interact. energy: -0.000 local terms energy: -17.817919 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -3.475 flat angles C4'-P-C4' energy: -3.153 flat angles P-C4'-P energy: -3.636 tors. eta vs tors. theta energy: -3.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -22.927387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.927387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.927387 (E_RNA) where: Base-Base interactions energy: -7.589 where: short stacking energy: -7.589 Base-Backbone interact. energy: -0.002 local terms energy: -15.336609 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.095 flat angles P-C4'-P energy: -2.769 tors. eta vs tors. theta energy: 0.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -28.436240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.436240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.436240 (E_RNA) where: Base-Base interactions energy: -11.921 where: short stacking energy: -11.921 Base-Backbone interact. energy: -0.003 local terms energy: -16.512024 where: bonds (distance) C4'-P energy: -4.341 bonds (distance) P-C4' energy: -4.416 flat angles C4'-P-C4' energy: -3.297 flat angles P-C4'-P energy: -2.504 tors. eta vs tors. theta energy: -1.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -24.498280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.498280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.498280 (E_RNA) where: Base-Base interactions energy: -7.824 where: short stacking energy: -7.824 Base-Backbone interact. energy: -0.001 local terms energy: -16.673631 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -4.631 flat angles C4'-P-C4' energy: -4.647 flat angles P-C4'-P energy: -2.844 tors. eta vs tors. theta energy: -0.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -21.768397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.768397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.768397 (E_RNA) where: Base-Base interactions energy: -4.692 where: short stacking energy: -4.692 Base-Backbone interact. energy: -0.001 local terms energy: -17.075429 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.345 flat angles P-C4'-P energy: -3.242 tors. eta vs tors. theta energy: -0.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -24.407032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.407032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.407032 (E_RNA) where: Base-Base interactions energy: -8.424 where: short stacking energy: -8.424 Base-Backbone interact. energy: -0.000 local terms energy: -15.983284 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -3.821 flat angles C4'-P-C4' energy: -3.938 flat angles P-C4'-P energy: -3.098 tors. eta vs tors. theta energy: -1.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -20.741917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.741917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.741917 (E_RNA) where: Base-Base interactions energy: -4.001 where: short stacking energy: -4.001 Base-Backbone interact. energy: -0.000 local terms energy: -16.741181 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -4.131 flat angles P-C4'-P energy: -2.943 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: 10, replica: 10 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -24.947235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.947235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.947235 (E_RNA) where: Base-Base interactions energy: -9.367 where: short stacking energy: -9.367 Base-Backbone interact. energy: -0.000 local terms energy: -15.580401 where: bonds (distance) C4'-P energy: -2.503 bonds (distance) P-C4' energy: -1.637 flat angles C4'-P-C4' energy: -4.441 flat angles P-C4'-P energy: -2.455 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: 1, replica: 7 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -26.556822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.556822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.556822 (E_RNA) where: Base-Base interactions energy: -8.764 where: short stacking energy: -8.764 Base-Backbone interact. energy: -0.518 local terms energy: -17.274494 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -3.306 flat angles P-C4'-P energy: -2.668 tors. eta vs tors. theta energy: -2.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -25.269015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.269015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.269015 (E_RNA) where: Base-Base interactions energy: -8.003 where: short stacking energy: -8.003 Base-Backbone interact. energy: -0.000 local terms energy: -17.266229 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.129 flat angles P-C4'-P energy: -3.644 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: 3, replica: 3 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -30.346602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.346602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.346602 (E_RNA) where: Base-Base interactions energy: -9.401 where: short stacking energy: -9.401 Base-Backbone interact. energy: -0.000 local terms energy: -20.945798 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -4.555 flat angles P-C4'-P energy: -3.042 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: 268 Temperature: 1.050000 Total energy: -28.622316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.622316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.622316 (E_RNA) where: Base-Base interactions energy: -10.679 where: short stacking energy: -10.679 Base-Backbone interact. energy: -0.000 local terms energy: -17.943286 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -3.708 flat angles C4'-P-C4' energy: -4.222 flat angles P-C4'-P energy: -0.486 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: 5, replica: 8 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -19.722937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.722937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.722937 (E_RNA) where: Base-Base interactions energy: -7.576 where: short stacking energy: -7.576 Base-Backbone interact. energy: -0.102 local terms energy: -12.044971 where: bonds (distance) C4'-P energy: -2.518 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -4.451 flat angles P-C4'-P energy: -1.538 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: 6, replica: 5 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -21.407549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.407549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.407549 (E_RNA) where: Base-Base interactions energy: -6.102 where: short stacking energy: -6.102 Base-Backbone interact. energy: -0.203 local terms energy: -15.102408 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.383 flat angles P-C4'-P energy: -2.509 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: 4 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -24.641355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.641355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.641355 (E_RNA) where: Base-Base interactions energy: -9.864 where: short stacking energy: -9.864 Base-Backbone interact. energy: -0.000 local terms energy: -14.777739 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -3.426 flat angles C4'-P-C4' energy: -2.351 flat angles P-C4'-P energy: -2.816 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: 8, replica: 2 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -24.006515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.006515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.006515 (E_RNA) where: Base-Base interactions energy: -8.955 where: short stacking energy: -8.955 Base-Backbone interact. energy: -0.000 local terms energy: -15.051743 where: bonds (distance) C4'-P energy: -3.214 bonds (distance) P-C4' energy: -3.071 flat angles C4'-P-C4' energy: -2.605 flat angles P-C4'-P energy: -3.384 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: 9, replica: 10 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -23.518671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.518671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.518671 (E_RNA) where: Base-Base interactions energy: -7.149 where: short stacking energy: -7.149 Base-Backbone interact. energy: -0.000 local terms energy: -16.369584 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -2.691 flat angles P-C4'-P energy: -2.863 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: 10, replica: 1 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -22.616978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.616978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.616978 (E_RNA) where: Base-Base interactions energy: -6.111 where: short stacking energy: -6.111 Base-Backbone interact. energy: -0.029 local terms energy: -16.477509 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -3.011 flat angles C4'-P-C4' energy: -3.866 flat angles P-C4'-P energy: -3.391 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: 7 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -24.845097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.845097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.845097 (E_RNA) where: Base-Base interactions energy: -7.778 where: short stacking energy: -7.778 Base-Backbone interact. energy: -0.017 local terms energy: -17.050516 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.839 flat angles C4'-P-C4' energy: -2.723 flat angles P-C4'-P energy: -2.583 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: 2, replica: 3 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -30.727216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.727216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.727216 (E_RNA) where: Base-Base interactions energy: -11.848 where: short stacking energy: -11.848 Base-Backbone interact. energy: -0.000 local terms energy: -18.879510 where: bonds (distance) C4'-P energy: -3.036 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.589 flat angles P-C4'-P energy: -3.120 tors. eta vs tors. theta energy: -2.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -25.618907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.618907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.618907 (E_RNA) where: Base-Base interactions energy: -8.289 where: short stacking energy: -8.289 Base-Backbone interact. energy: -0.000 local terms energy: -17.329609 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.379 flat angles P-C4'-P energy: -1.414 tors. eta vs tors. theta energy: -1.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -30.014981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.014981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.014981 (E_RNA) where: Base-Base interactions energy: -10.999 where: short stacking energy: -10.999 Base-Backbone interact. energy: -0.000 local terms energy: -19.016020 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.034 flat angles P-C4'-P energy: -2.588 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: 5, replica: 8 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -22.696540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.696540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.696540 (E_RNA) where: Base-Base interactions energy: -7.401 where: short stacking energy: -7.401 Base-Backbone interact. energy: -0.000 local terms energy: -15.295220 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -3.071 flat angles C4'-P-C4' energy: -4.663 flat angles P-C4'-P energy: -2.346 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: 4 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -25.094765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.094765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.094765 (E_RNA) where: Base-Base interactions energy: -8.054 where: short stacking energy: -8.054 Base-Backbone interact. energy: -0.000 local terms energy: -17.040519 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.786 flat angles P-C4'-P energy: -2.964 tors. eta vs tors. theta energy: -1.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -25.177568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.177568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.177568 (E_RNA) where: Base-Base interactions energy: -8.261 where: short stacking energy: -8.261 Base-Backbone interact. energy: -0.005 local terms energy: -16.911282 where: bonds (distance) C4'-P energy: -3.673 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -4.149 flat angles P-C4'-P energy: -3.646 tors. eta vs tors. theta energy: -0.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -20.928167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.928167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.928167 (E_RNA) where: Base-Base interactions energy: -6.996 where: short stacking energy: -6.996 Base-Backbone interact. energy: -0.265 local terms energy: -13.666900 where: bonds (distance) C4'-P energy: -2.068 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.245 flat angles P-C4'-P energy: -2.695 tors. eta vs tors. theta energy: -0.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -22.071582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.071582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.071582 (E_RNA) where: Base-Base interactions energy: -4.242 where: short stacking energy: -4.242 Base-Backbone interact. energy: -0.000 local terms energy: -17.829724 where: bonds (distance) C4'-P energy: -3.061 bonds (distance) P-C4' energy: -4.842 flat angles C4'-P-C4' energy: -4.215 flat angles P-C4'-P energy: -3.270 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: 1 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -20.673823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.673823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.673823 (E_RNA) where: Base-Base interactions energy: -3.750 where: short stacking energy: -3.750 Base-Backbone interact. energy: -0.100 local terms energy: -16.824242 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.222 flat angles P-C4'-P energy: -3.862 tors. eta vs tors. theta energy: 0.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -26.286280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.286280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.286280 (E_RNA) where: Base-Base interactions energy: -7.208 where: short stacking energy: -7.208 Base-Backbone interact. energy: -0.001 local terms energy: -19.077019 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.632 flat angles P-C4'-P energy: -3.644 tors. eta vs tors. theta energy: -2.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -24.117414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.117414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.117414 (E_RNA) where: Base-Base interactions energy: -7.581 where: short stacking energy: -7.581 Base-Backbone interact. energy: -0.081 local terms energy: -16.455932 where: bonds (distance) C4'-P energy: -3.789 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.253 flat angles P-C4'-P energy: -2.293 tors. eta vs tors. theta energy: -1.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -25.894702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.894702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.894702 (E_RNA) where: Base-Base interactions energy: -9.894 where: short stacking energy: -9.894 Base-Backbone interact. energy: -0.000 local terms energy: -16.001108 where: bonds (distance) C4'-P energy: -2.494 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -2.848 flat angles P-C4'-P energy: -3.077 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: 4, replica: 9 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -22.863786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.863786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.863786 (E_RNA) where: Base-Base interactions energy: -4.311 where: short stacking energy: -4.311 Base-Backbone interact. energy: -0.099 local terms energy: -18.453995 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.572 flat angles P-C4'-P energy: -3.709 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: 4 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -22.569120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.569120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.569120 (E_RNA) where: Base-Base interactions energy: -5.561 where: short stacking energy: -5.561 Base-Backbone interact. energy: -0.005 local terms energy: -17.003355 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -3.962 flat angles P-C4'-P energy: -1.861 tors. eta vs tors. theta energy: -2.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -23.882624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.882624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.882624 (E_RNA) where: Base-Base interactions energy: -5.370 where: short stacking energy: -5.370 Base-Backbone interact. energy: -0.086 local terms energy: -18.426603 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -4.592 flat angles P-C4'-P energy: -2.588 tors. eta vs tors. theta energy: -2.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -20.551134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.551134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.551134 (E_RNA) where: Base-Base interactions energy: -5.722 where: short stacking energy: -5.722 Base-Backbone interact. energy: -0.214 local terms energy: -14.615298 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.641 flat angles P-C4'-P energy: -1.557 tors. eta vs tors. theta energy: -1.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -22.610850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.610850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.610850 (E_RNA) where: Base-Base interactions energy: -3.676 where: short stacking energy: -3.676 Base-Backbone interact. energy: -0.002 local terms energy: -18.933434 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.801 flat angles P-C4'-P energy: -3.142 tors. eta vs tors. theta energy: -2.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -24.248410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.248410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.248410 (E_RNA) where: Base-Base interactions energy: -6.615 where: short stacking energy: -6.615 Base-Backbone interact. energy: -0.000 local terms energy: -17.633881 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.388 flat angles P-C4'-P energy: -2.993 tors. eta vs tors. theta energy: -1.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -20.594085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.594085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.594085 (E_RNA) where: Base-Base interactions energy: -4.187 where: short stacking energy: -4.187 Base-Backbone interact. energy: -0.032 local terms energy: -16.374289 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -4.867 flat angles C4'-P-C4' energy: -3.181 flat angles P-C4'-P energy: -2.547 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: 3 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -28.904304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.904304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.904304 (E_RNA) where: Base-Base interactions energy: -11.136 where: short stacking energy: -11.136 Base-Backbone interact. energy: -0.000 local terms energy: -17.768458 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.275 flat angles P-C4'-P energy: -3.230 tors. eta vs tors. theta energy: -2.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -28.512618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.512618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.512618 (E_RNA) where: Base-Base interactions energy: -12.287 where: short stacking energy: -12.287 Base-Backbone interact. energy: -0.001 local terms energy: -16.224616 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -2.419 flat angles C4'-P-C4' energy: -3.629 flat angles P-C4'-P energy: -3.843 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: 3, replica: 7 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -29.558646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.558646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.558646 (E_RNA) where: Base-Base interactions energy: -11.771 where: short stacking energy: -11.771 Base-Backbone interact. energy: -0.000 local terms energy: -17.787225 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.354 flat angles P-C4'-P energy: -1.703 tors. eta vs tors. theta energy: -3.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -25.245908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.245908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.245908 (E_RNA) where: Base-Base interactions energy: -7.382 where: short stacking energy: -7.382 Base-Backbone interact. energy: -0.002 local terms energy: -17.862508 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -3.723 flat angles C4'-P-C4' energy: -3.976 flat angles P-C4'-P energy: -2.316 tors. eta vs tors. theta energy: -3.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -23.335496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.335496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.335496 (E_RNA) where: Base-Base interactions energy: -9.933 where: short stacking energy: -9.933 Base-Backbone interact. energy: -0.099 local terms energy: -13.302953 where: bonds (distance) C4'-P energy: -1.827 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.472 flat angles P-C4'-P energy: -1.382 tors. eta vs tors. theta energy: -1.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -22.933817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.933817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.933817 (E_RNA) where: Base-Base interactions energy: -6.966 where: short stacking energy: -6.966 Base-Backbone interact. energy: -0.026 local terms energy: -15.941854 where: bonds (distance) C4'-P energy: -4.341 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.503 flat angles P-C4'-P energy: -1.054 tors. eta vs tors. theta energy: -2.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -23.317138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.317138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.317138 (E_RNA) where: Base-Base interactions energy: -9.963 where: short stacking energy: -9.963 Base-Backbone interact. energy: -0.000 local terms energy: -13.354092 where: bonds (distance) C4'-P energy: -1.174 bonds (distance) P-C4' energy: -3.557 flat angles C4'-P-C4' energy: -3.239 flat angles P-C4'-P energy: -3.300 tors. eta vs tors. theta energy: -2.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -22.611324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.611324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.611324 (E_RNA) where: Base-Base interactions energy: -6.338 where: short stacking energy: -6.338 Base-Backbone interact. energy: -0.000 local terms energy: -16.273460 where: bonds (distance) C4'-P energy: -4.233 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.178 flat angles P-C4'-P energy: -1.888 tors. eta vs tors. theta energy: -1.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -22.664700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.664700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.664700 (E_RNA) where: Base-Base interactions energy: -6.185 where: short stacking energy: -6.185 Base-Backbone interact. energy: -0.000 local terms energy: -16.479324 where: bonds (distance) C4'-P energy: -3.301 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.517 flat angles P-C4'-P energy: -2.507 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: 10, replica: 2 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -19.415304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.415304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.415304 (E_RNA) where: Base-Base interactions energy: -3.566 where: short stacking energy: -3.566 Base-Backbone interact. energy: -0.046 local terms energy: -15.803532 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.181 flat angles P-C4'-P energy: -2.761 tors. eta vs tors. theta energy: -0.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -31.095287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.095287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.095287 (E_RNA) where: Base-Base interactions energy: -10.749 where: short stacking energy: -10.749 Base-Backbone interact. energy: -0.000 local terms energy: -20.346770 where: bonds (distance) C4'-P energy: -3.070 bonds (distance) P-C4' energy: -4.051 flat angles C4'-P-C4' energy: -4.168 flat angles P-C4'-P energy: -3.908 tors. eta vs tors. theta energy: -5.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -26.003402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.003402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.003402 (E_RNA) where: Base-Base interactions energy: -10.856 where: short stacking energy: -10.856 Base-Backbone interact. energy: -0.001 local terms energy: -15.147253 where: bonds (distance) C4'-P energy: -2.820 bonds (distance) P-C4' energy: -3.811 flat angles C4'-P-C4' energy: -2.807 flat angles P-C4'-P energy: -3.871 tors. eta vs tors. theta energy: -1.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -26.181023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.181023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.181023 (E_RNA) where: Base-Base interactions energy: -7.324 where: short stacking energy: -7.324 Base-Backbone interact. energy: -0.072 local terms energy: -18.784507 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.063 flat angles P-C4'-P energy: -3.114 tors. eta vs tors. theta energy: -2.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -24.898926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.898926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.898926 (E_RNA) where: Base-Base interactions energy: -9.080 where: short stacking energy: -9.080 Base-Backbone interact. energy: -0.012 local terms energy: -15.806124 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.177 flat angles P-C4'-P energy: -2.631 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: 5, replica: 10 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -24.355634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.355634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.355634 (E_RNA) where: Base-Base interactions energy: -10.230 where: short stacking energy: -10.230 Base-Backbone interact. energy: -0.000 local terms energy: -14.125290 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -2.842 flat angles C4'-P-C4' energy: -3.478 flat angles P-C4'-P energy: -0.760 tors. eta vs tors. theta energy: -3.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -23.722818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.722818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.722818 (E_RNA) where: Base-Base interactions energy: -5.716 where: short stacking energy: -5.716 Base-Backbone interact. energy: -0.000 local terms energy: -18.006852 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.113 flat angles P-C4'-P energy: -2.839 tors. eta vs tors. theta energy: -2.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -20.949873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.949873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.949873 (E_RNA) where: Base-Base interactions energy: -4.334 where: short stacking energy: -4.334 Base-Backbone interact. energy: -0.005 local terms energy: -16.610330 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -2.652 flat angles P-C4'-P energy: -3.086 tors. eta vs tors. theta energy: -1.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -27.338572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.338572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.338572 (E_RNA) where: Base-Base interactions energy: -10.514 where: short stacking energy: -10.514 Base-Backbone interact. energy: -0.000 local terms energy: -16.824230 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -3.121 flat angles P-C4'-P energy: -3.539 tors. eta vs tors. theta energy: -1.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -20.248866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.248866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.248866 (E_RNA) where: Base-Base interactions energy: -3.922 where: short stacking energy: -3.922 Base-Backbone interact. energy: -0.000 local terms energy: -16.326448 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -2.607 flat angles P-C4'-P energy: -2.097 tors. eta vs tors. theta energy: -2.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -20.781234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.781234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.781234 (E_RNA) where: Base-Base interactions energy: -3.656 where: short stacking energy: -3.656 Base-Backbone interact. energy: -0.005 local terms energy: -17.120620 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -4.540 flat angles P-C4'-P energy: -3.131 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: 1, replica: 3 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -29.858300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.858300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.858300 (E_RNA) where: Base-Base interactions energy: -11.137 where: short stacking energy: -11.137 Base-Backbone interact. energy: -0.000 local terms energy: -18.720806 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.201 flat angles P-C4'-P energy: -3.976 tors. eta vs tors. theta energy: -1.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -30.584396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.584396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.584396 (E_RNA) where: Base-Base interactions energy: -11.206 where: short stacking energy: -11.206 Base-Backbone interact. energy: -0.000 local terms energy: -19.378781 where: bonds (distance) C4'-P energy: -4.018 bonds (distance) P-C4' energy: -3.582 flat angles C4'-P-C4' energy: -4.382 flat angles P-C4'-P energy: -2.690 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: 3, replica: 6 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -29.368834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.368834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.368834 (E_RNA) where: Base-Base interactions energy: -8.752 where: short stacking energy: -8.752 Base-Backbone interact. energy: -0.000 local terms energy: -20.616899 where: bonds (distance) C4'-P energy: -4.750 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.386 flat angles P-C4'-P energy: -2.737 tors. eta vs tors. theta energy: -3.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -29.020193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.020193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.020193 (E_RNA) where: Base-Base interactions energy: -11.517 where: short stacking energy: -11.517 Base-Backbone interact. energy: -0.000 local terms energy: -17.503634 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -3.640 flat angles P-C4'-P energy: -2.231 tors. eta vs tors. theta energy: -3.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -21.161229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.161229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.161229 (E_RNA) where: Base-Base interactions energy: -7.371 where: short stacking energy: -7.371 Base-Backbone interact. energy: 0.079 local terms energy: -13.869704 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -3.944 flat angles C4'-P-C4' energy: -3.299 flat angles P-C4'-P energy: -2.184 tors. eta vs tors. theta energy: -0.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -23.638209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.638209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.638209 (E_RNA) where: Base-Base interactions energy: -7.264 where: short stacking energy: -7.264 Base-Backbone interact. energy: -0.000 local terms energy: -16.373632 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -3.790 flat angles C4'-P-C4' energy: -4.751 flat angles P-C4'-P energy: -1.342 tors. eta vs tors. theta energy: -2.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -23.149450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.149450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.149450 (E_RNA) where: Base-Base interactions energy: -9.714 where: short stacking energy: -9.714 Base-Backbone interact. energy: -0.001 local terms energy: -13.434425 where: bonds (distance) C4'-P energy: -1.082 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.866 flat angles P-C4'-P energy: -2.362 tors. eta vs tors. theta energy: -2.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -22.204213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.204213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.204213 (E_RNA) where: Base-Base interactions energy: -6.382 where: short stacking energy: -6.382 Base-Backbone interact. energy: -0.018 local terms energy: -15.804172 where: bonds (distance) C4'-P energy: -2.776 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.564 flat angles P-C4'-P energy: -3.607 tors. eta vs tors. theta energy: -1.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -21.185915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.185915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.185915 (E_RNA) where: Base-Base interactions energy: -6.142 where: short stacking energy: -4.071 Base-Backbone interact. energy: -0.068 local terms energy: -14.976016 where: bonds (distance) C4'-P energy: -3.417 bonds (distance) P-C4' energy: -4.044 flat angles C4'-P-C4' energy: -4.218 flat angles P-C4'-P energy: -0.394 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: 10, replica: 5 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -26.301289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.301289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.301289 (E_RNA) where: Base-Base interactions energy: -8.500 where: short stacking energy: -8.500 Base-Backbone interact. energy: -0.000 local terms energy: -17.801387 where: bonds (distance) C4'-P energy: -0.995 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -4.241 flat angles P-C4'-P energy: -3.892 tors. eta vs tors. theta energy: -4.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -32.161153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.161153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.161153 (E_RNA) where: Base-Base interactions energy: -11.479 where: short stacking energy: -11.479 Base-Backbone interact. energy: -0.000 local terms energy: -20.681676 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.364 flat angles P-C4'-P energy: -2.627 tors. eta vs tors. theta energy: -4.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -25.126935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.126935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.126935 (E_RNA) where: Base-Base interactions energy: -7.522 where: short stacking energy: -7.522 Base-Backbone interact. energy: -0.000 local terms energy: -17.605432 where: bonds (distance) C4'-P energy: -3.673 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -4.624 flat angles P-C4'-P energy: -3.008 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: 3, replica: 10 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -25.706404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.706404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.706404 (E_RNA) where: Base-Base interactions energy: -8.013 where: short stacking energy: -8.013 Base-Backbone interact. energy: -0.000 local terms energy: -17.693197 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -3.818 flat angles C4'-P-C4' energy: -4.368 flat angles P-C4'-P energy: -2.165 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: 4, replica: 6 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -25.428979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.428979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.428979 (E_RNA) where: Base-Base interactions energy: -7.360 where: short stacking energy: -7.360 Base-Backbone interact. energy: -0.000 local terms energy: -18.068535 where: bonds (distance) C4'-P energy: -3.566 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -2.986 flat angles P-C4'-P energy: -3.383 tors. eta vs tors. theta energy: -3.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -25.156191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.156191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.156191 (E_RNA) where: Base-Base interactions energy: -9.284 where: short stacking energy: -9.284 Base-Backbone interact. energy: -0.000 local terms energy: -15.871399 where: bonds (distance) C4'-P energy: -3.194 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -2.820 flat angles P-C4'-P energy: -2.619 tors. eta vs tors. theta energy: -2.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -23.058960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.058960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.058960 (E_RNA) where: Base-Base interactions energy: -5.646 where: short stacking energy: -5.646 Base-Backbone interact. energy: -0.000 local terms energy: -17.412629 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.692 flat angles P-C4'-P energy: -2.240 tors. eta vs tors. theta energy: -2.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -23.893425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.893425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.893425 (E_RNA) where: Base-Base interactions energy: -6.489 where: short stacking energy: -6.489 Base-Backbone interact. energy: -0.024 local terms energy: -17.380179 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -3.811 flat angles C4'-P-C4' energy: -3.813 flat angles P-C4'-P energy: -3.482 tors. eta vs tors. theta energy: -2.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -20.736011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.736011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.736011 (E_RNA) where: Base-Base interactions energy: -3.851 where: short stacking energy: -3.851 Base-Backbone interact. energy: -0.651 local terms energy: -16.234574 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -4.614 flat angles P-C4'-P energy: -1.713 tors. eta vs tors. theta energy: -2.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -20.310964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.310964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.310964 (E_RNA) where: Base-Base interactions energy: -6.524 where: short stacking energy: -6.524 Base-Backbone interact. energy: -0.000 local terms energy: -13.786609 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -2.502 flat angles P-C4'-P energy: -0.469 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: 10, replica: 5 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -20.551218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.551218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.551218 (E_RNA) where: Base-Base interactions energy: -5.357 where: short stacking energy: -5.357 Base-Backbone interact. energy: -0.000 local terms energy: -15.193732 where: bonds (distance) C4'-P energy: -2.154 bonds (distance) P-C4' energy: -4.054 flat angles C4'-P-C4' energy: -4.137 flat angles P-C4'-P energy: -2.986 tors. eta vs tors. theta energy: -1.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -26.583296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.583296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.583296 (E_RNA) where: Base-Base interactions energy: -7.519 where: short stacking energy: -7.519 Base-Backbone interact. energy: -0.000 local terms energy: -19.064016 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.164 flat angles P-C4'-P energy: -3.339 tors. eta vs tors. theta energy: -3.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -22.417616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.417616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.417616 (E_RNA) where: Base-Base interactions energy: -4.250 where: short stacking energy: -4.250 Base-Backbone interact. energy: -0.039 local terms energy: -18.128772 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.112 flat angles P-C4'-P energy: -3.407 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: 3, replica: 3 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -23.278750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.278750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.278750 (E_RNA) where: Base-Base interactions energy: -6.800 where: short stacking energy: -6.800 Base-Backbone interact. energy: -0.000 local terms energy: -16.478774 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -4.242 flat angles P-C4'-P energy: -3.890 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: 4, replica: 8 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -26.922398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.922398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.922398 (E_RNA) where: Base-Base interactions energy: -11.336 where: short stacking energy: -11.336 Base-Backbone interact. energy: -0.039 local terms energy: -15.548008 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -3.708 flat angles C4'-P-C4' energy: -4.195 flat angles P-C4'-P energy: -1.819 tors. eta vs tors. theta energy: -1.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -20.267273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.267273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.267273 (E_RNA) where: Base-Base interactions energy: -6.105 where: short stacking energy: -6.105 Base-Backbone interact. energy: -0.000 local terms energy: -14.162284 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -1.560 flat angles C4'-P-C4' energy: -4.288 flat angles P-C4'-P energy: -2.051 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: 6, replica: 1 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -25.706761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.706761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.706761 (E_RNA) where: Base-Base interactions energy: -8.944 where: short stacking energy: -8.944 Base-Backbone interact. energy: -0.000 local terms energy: -16.762950 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.336 flat angles C4'-P-C4' energy: -1.607 flat angles P-C4'-P energy: -1.527 tors. eta vs tors. theta energy: -4.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -22.465831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.465831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.465831 (E_RNA) where: Base-Base interactions energy: -4.667 where: short stacking energy: -4.667 Base-Backbone interact. energy: -0.022 local terms energy: -17.776805 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -4.580 flat angles P-C4'-P energy: -3.504 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: 8, replica: 2 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -20.981918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.981918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.981918 (E_RNA) where: Base-Base interactions energy: -3.664 where: short stacking energy: -3.664 Base-Backbone interact. energy: -0.000 local terms energy: -17.318097 where: bonds (distance) C4'-P energy: -3.032 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.837 flat angles P-C4'-P energy: -4.014 tors. eta vs tors. theta energy: -1.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -23.006518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.006518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.006518 (E_RNA) where: Base-Base interactions energy: -6.922 where: short stacking energy: -6.922 Base-Backbone interact. energy: -0.000 local terms energy: -16.084742 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -4.051 flat angles C4'-P-C4' energy: -2.764 flat angles P-C4'-P energy: -2.661 tors. eta vs tors. theta energy: -2.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -21.145278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.145278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.145278 (E_RNA) where: Base-Base interactions energy: -5.024 where: short stacking energy: -5.024 Base-Backbone interact. energy: -0.000 local terms energy: -16.121241 where: bonds (distance) C4'-P energy: -2.962 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.898 flat angles P-C4'-P energy: -3.080 tors. eta vs tors. theta energy: -1.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -25.775007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.775007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.775007 (E_RNA) where: Base-Base interactions energy: -7.533 where: short stacking energy: -7.533 Base-Backbone interact. energy: -0.000 local terms energy: -18.241759 where: bonds (distance) C4'-P energy: -2.946 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.132 flat angles P-C4'-P energy: -3.643 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: 9 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -31.105981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.105981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.105981 (E_RNA) where: Base-Base interactions energy: -11.480 where: short stacking energy: -11.480 Base-Backbone interact. energy: -0.000 local terms energy: -19.625444 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.344 flat angles P-C4'-P energy: -2.555 tors. eta vs tors. theta energy: -3.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -24.169349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.169349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.169349 (E_RNA) where: Base-Base interactions energy: -10.774 where: short stacking energy: -10.918 Base-Backbone interact. energy: -0.002 local terms energy: -13.393626 where: bonds (distance) C4'-P energy: -1.136 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -1.281 flat angles P-C4'-P energy: -3.470 tors. eta vs tors. theta energy: -2.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -25.649679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.649679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.649679 (E_RNA) where: Base-Base interactions energy: -7.478 where: short stacking energy: -7.478 Base-Backbone interact. energy: -0.000 local terms energy: -18.171940 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.321 flat angles P-C4'-P energy: -1.923 tors. eta vs tors. theta energy: -3.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -23.201185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.201185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.201185 (E_RNA) where: Base-Base interactions energy: -4.653 where: short stacking energy: -4.653 Base-Backbone interact. energy: -0.000 local terms energy: -18.547897 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.579 flat angles C4'-P-C4' energy: -4.104 flat angles P-C4'-P energy: -3.218 tors. eta vs tors. theta energy: -2.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -22.903329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.903329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.903329 (E_RNA) where: Base-Base interactions energy: -6.789 where: short stacking energy: -6.789 Base-Backbone interact. energy: -0.088 local terms energy: -16.026780 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.305 flat angles P-C4'-P energy: -3.586 tors. eta vs tors. theta energy: -0.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -23.249084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.249084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.249084 (E_RNA) where: Base-Base interactions energy: -7.008 where: short stacking energy: -7.008 Base-Backbone interact. energy: -0.086 local terms energy: -16.155065 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -3.966 flat angles C4'-P-C4' energy: -2.362 flat angles P-C4'-P energy: -2.188 tors. eta vs tors. theta energy: -3.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -23.076193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.076193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.076193 (E_RNA) where: Base-Base interactions energy: -6.884 where: short stacking energy: -6.884 Base-Backbone interact. energy: -0.000 local terms energy: -16.192405 where: bonds (distance) C4'-P energy: -4.270 bonds (distance) P-C4' energy: -3.891 flat angles C4'-P-C4' energy: -3.273 flat angles P-C4'-P energy: -2.705 tors. eta vs tors. theta energy: -2.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -23.066423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.066423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.066423 (E_RNA) where: Base-Base interactions energy: -6.941 where: short stacking energy: -6.941 Base-Backbone interact. energy: -0.000 local terms energy: -16.125104 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -1.512 flat angles P-C4'-P energy: -3.318 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: 10, replica: 4 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -18.294128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.294128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.294128 (E_RNA) where: Base-Base interactions energy: -2.998 where: short stacking energy: -2.998 Base-Backbone interact. energy: -0.000 local terms energy: -15.295798 where: bonds (distance) C4'-P energy: -2.564 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.292 flat angles P-C4'-P energy: -2.959 tors. eta vs tors. theta energy: -1.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -28.201856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.201856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.201856 (E_RNA) where: Base-Base interactions energy: -9.000 where: short stacking energy: -9.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.201769 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -4.426 flat angles P-C4'-P energy: -3.068 tors. eta vs tors. theta energy: -3.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -24.569036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.569036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.569036 (E_RNA) where: Base-Base interactions energy: -7.675 where: short stacking energy: -7.675 Base-Backbone interact. energy: -0.060 local terms energy: -16.834760 where: bonds (distance) C4'-P energy: -3.683 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.924 flat angles P-C4'-P energy: -2.737 tors. eta vs tors. theta energy: -1.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -26.922697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.922697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.922697 (E_RNA) where: Base-Base interactions energy: -10.709 where: short stacking energy: -10.709 Base-Backbone interact. energy: -0.000 local terms energy: -16.213387 where: bonds (distance) C4'-P energy: -2.040 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.647 flat angles P-C4'-P energy: -2.648 tors. eta vs tors. theta energy: -2.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -28.558074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.558074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.558074 (E_RNA) where: Base-Base interactions energy: -8.316 where: short stacking energy: -8.316 Base-Backbone interact. energy: -0.000 local terms energy: -20.242028 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.176 flat angles P-C4'-P energy: -3.884 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: 5, replica: 8 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -24.034821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.034821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.034821 (E_RNA) where: Base-Base interactions energy: -5.693 where: short stacking energy: -5.693 Base-Backbone interact. energy: -0.084 local terms energy: -18.257807 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.053 flat angles C4'-P-C4' energy: -4.702 flat angles P-C4'-P energy: -3.135 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: 6, replica: 2 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -23.133338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.133338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.133338 (E_RNA) where: Base-Base interactions energy: -9.390 where: short stacking energy: -9.390 Base-Backbone interact. energy: -0.000 local terms energy: -13.743076 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -2.067 flat angles C4'-P-C4' energy: -3.768 flat angles P-C4'-P energy: -2.075 tors. eta vs tors. theta energy: -2.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -22.998948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.998948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.998948 (E_RNA) where: Base-Base interactions energy: -8.331 where: short stacking energy: -8.331 Base-Backbone interact. energy: -0.004 local terms energy: -14.663627 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.118 flat angles P-C4'-P energy: -1.723 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: 8, replica: 5 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -23.783473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.783473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.783473 (E_RNA) where: Base-Base interactions energy: -6.409 where: short stacking energy: -6.409 Base-Backbone interact. energy: -0.012 local terms energy: -17.362883 where: bonds (distance) C4'-P energy: -4.311 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -1.969 flat angles P-C4'-P energy: -2.825 tors. eta vs tors. theta energy: -3.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -21.858517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.858517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.858517 (E_RNA) where: Base-Base interactions energy: -6.619 where: short stacking energy: -6.619 Base-Backbone interact. energy: -0.000 local terms energy: -15.239475 where: bonds (distance) C4'-P energy: -3.190 bonds (distance) P-C4' energy: -4.082 flat angles C4'-P-C4' energy: -1.950 flat angles P-C4'-P energy: -2.477 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: 10, replica: 4 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -22.717865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.717865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.717865 (E_RNA) where: Base-Base interactions energy: -6.249 where: short stacking energy: -6.249 Base-Backbone interact. energy: -0.001 local terms energy: -16.468677 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.029 flat angles P-C4'-P energy: -0.784 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: 1, replica: 3 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -26.664746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.664746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.664746 (E_RNA) where: Base-Base interactions energy: -10.835 where: short stacking energy: -10.835 Base-Backbone interact. energy: -0.003 local terms energy: -15.826228 where: bonds (distance) C4'-P energy: -3.708 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -1.868 flat angles P-C4'-P energy: -2.343 tors. eta vs tors. theta energy: -2.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -25.902230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.902230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.902230 (E_RNA) where: Base-Base interactions energy: -7.557 where: short stacking energy: -7.557 Base-Backbone interact. energy: -0.001 local terms energy: -18.344408 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -4.336 flat angles C4'-P-C4' energy: -4.647 flat angles P-C4'-P energy: -3.511 tors. eta vs tors. theta energy: -2.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -24.041058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.041058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.041058 (E_RNA) where: Base-Base interactions energy: -8.516 where: short stacking energy: -8.516 Base-Backbone interact. energy: -0.000 local terms energy: -15.524778 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.066 flat angles P-C4'-P energy: -3.136 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: 4, replica: 1 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -24.559763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.559763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.559763 (E_RNA) where: Base-Base interactions energy: -9.750 where: short stacking energy: -9.750 Base-Backbone interact. energy: -0.002 local terms energy: -14.807260 where: bonds (distance) C4'-P energy: -2.295 bonds (distance) P-C4' energy: -3.268 flat angles C4'-P-C4' energy: -3.440 flat angles P-C4'-P energy: -3.177 tors. eta vs tors. theta energy: -2.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -20.144425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.144425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.144425 (E_RNA) where: Base-Base interactions energy: -3.565 where: short stacking energy: -3.565 Base-Backbone interact. energy: -0.009 local terms energy: -16.569796 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -3.890 flat angles P-C4'-P energy: -3.298 tors. eta vs tors. theta energy: -0.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -21.570782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.570782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.570782 (E_RNA) where: Base-Base interactions energy: -7.020 where: short stacking energy: -7.020 Base-Backbone interact. energy: -0.016 local terms energy: -14.534651 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.306 flat angles P-C4'-P energy: -3.483 tors. eta vs tors. theta energy: 1.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -23.687226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.687226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.687226 (E_RNA) where: Base-Base interactions energy: -6.918 where: short stacking energy: -6.918 Base-Backbone interact. energy: -0.000 local terms energy: -16.769305 where: bonds (distance) C4'-P energy: -3.673 bonds (distance) P-C4' energy: -3.100 flat angles C4'-P-C4' energy: -3.056 flat angles P-C4'-P energy: -2.673 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: 8, replica: 6 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -19.137255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.137255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.137255 (E_RNA) where: Base-Base interactions energy: -4.120 where: short stacking energy: -4.120 Base-Backbone interact. energy: -0.000 local terms energy: -15.017193 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.311 flat angles C4'-P-C4' energy: -3.634 flat angles P-C4'-P energy: -2.603 tors. eta vs tors. theta energy: -0.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -20.434117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.434117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.434117 (E_RNA) where: Base-Base interactions energy: -3.809 where: short stacking energy: -3.809 Base-Backbone interact. energy: -0.041 local terms energy: -16.584768 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.978 flat angles P-C4'-P energy: -3.453 tors. eta vs tors. theta energy: -0.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -21.931683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.931683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.931683 (E_RNA) where: Base-Base interactions energy: -11.541 where: short stacking energy: -11.541 Base-Backbone interact. energy: -0.173 local terms energy: -10.217307 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -1.609 flat angles C4'-P-C4' energy: -3.383 flat angles P-C4'-P energy: -1.573 tors. eta vs tors. theta energy: -0.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -24.219928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.219928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.219928 (E_RNA) where: Base-Base interactions energy: -10.016 where: short stacking energy: -10.016 Base-Backbone interact. energy: -0.000 local terms energy: -14.203297 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -3.096 flat angles C4'-P-C4' energy: -3.865 flat angles P-C4'-P energy: -1.339 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: 2, replica: 9 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -25.178079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.178079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.178079 (E_RNA) where: Base-Base interactions energy: -7.307 where: short stacking energy: -7.307 Base-Backbone interact. energy: -0.001 local terms energy: -17.870045 where: bonds (distance) C4'-P energy: -4.742 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.642 flat angles P-C4'-P energy: -2.655 tors. eta vs tors. theta energy: -0.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -26.429212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.429212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.429212 (E_RNA) where: Base-Base interactions energy: -10.301 where: short stacking energy: -10.301 Base-Backbone interact. energy: -0.000 local terms energy: -16.128588 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -3.751 flat angles C4'-P-C4' energy: -1.692 flat angles P-C4'-P energy: -2.541 tors. eta vs tors. theta energy: -4.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -27.163058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.163058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.163058 (E_RNA) where: Base-Base interactions energy: -10.208 where: short stacking energy: -10.208 Base-Backbone interact. energy: -0.053 local terms energy: -16.901804 where: bonds (distance) C4'-P energy: -3.301 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.991 flat angles P-C4'-P energy: -3.865 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: 5, replica: 1 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -23.365692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.365692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.365692 (E_RNA) where: Base-Base interactions energy: -8.248 where: short stacking energy: -8.248 Base-Backbone interact. energy: 0.003 local terms energy: -15.120297 where: bonds (distance) C4'-P energy: -3.708 bonds (distance) P-C4' energy: -4.631 flat angles C4'-P-C4' energy: -3.639 flat angles P-C4'-P energy: -2.039 tors. eta vs tors. theta energy: -1.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -25.625904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.625904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.625904 (E_RNA) where: Base-Base interactions energy: -7.522 where: short stacking energy: -7.522 Base-Backbone interact. energy: -0.000 local terms energy: -18.103610 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.357 flat angles P-C4'-P energy: -2.313 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: 7, replica: 8 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -22.380354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.380354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.380354 (E_RNA) where: Base-Base interactions energy: -7.455 where: short stacking energy: -7.455 Base-Backbone interact. energy: -0.006 local terms energy: -14.918787 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.441 flat angles C4'-P-C4' energy: -0.933 flat angles P-C4'-P energy: -3.388 tors. eta vs tors. theta energy: -2.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -23.850573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.850573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.850573 (E_RNA) where: Base-Base interactions energy: -4.293 where: short stacking energy: -4.293 Base-Backbone interact. energy: -0.000 local terms energy: -19.557127 where: bonds (distance) C4'-P energy: -3.799 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.106 flat angles P-C4'-P energy: -3.274 tors. eta vs tors. theta energy: -3.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -20.155079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.155079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.155079 (E_RNA) where: Base-Base interactions energy: -5.055 where: short stacking energy: -5.055 Base-Backbone interact. energy: -0.017 local terms energy: -15.082921 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.131 flat angles P-C4'-P energy: -2.450 tors. eta vs tors. theta energy: -0.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -20.636618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.636618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.636618 (E_RNA) where: Base-Base interactions energy: -3.629 where: short stacking energy: -3.629 Base-Backbone interact. energy: -0.000 local terms energy: -17.008039 where: bonds (distance) C4'-P energy: -3.939 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -4.218 flat angles P-C4'-P energy: -2.370 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: 1, replica: 9 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -29.129396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.129396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.129396 (E_RNA) where: Base-Base interactions energy: -11.377 where: short stacking energy: -11.377 Base-Backbone interact. energy: -0.001 local terms energy: -17.751407 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.049 flat angles P-C4'-P energy: -3.306 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: 2, replica: 3 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -23.218717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.218717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.218717 (E_RNA) where: Base-Base interactions energy: -4.377 where: short stacking energy: -4.377 Base-Backbone interact. energy: -0.001 local terms energy: -18.840742 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.235 flat angles P-C4'-P energy: -3.502 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: 2 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -30.157293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.157293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.157293 (E_RNA) where: Base-Base interactions energy: -8.745 where: short stacking energy: -8.745 Base-Backbone interact. energy: -0.000 local terms energy: -21.411846 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.959 flat angles P-C4'-P energy: -3.578 tors. eta vs tors. theta energy: -4.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -23.917152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.917152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.917152 (E_RNA) where: Base-Base interactions energy: -7.268 where: short stacking energy: -7.268 Base-Backbone interact. energy: -0.000 local terms energy: -16.648687 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.271 flat angles P-C4'-P energy: -2.286 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: 5 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -25.771060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.771060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.771060 (E_RNA) where: Base-Base interactions energy: -7.042 where: short stacking energy: -7.042 Base-Backbone interact. energy: -0.000 local terms energy: -18.729341 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.450 flat angles P-C4'-P energy: -3.624 tors. eta vs tors. theta energy: -1.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -23.714426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.714426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.714426 (E_RNA) where: Base-Base interactions energy: -6.094 where: short stacking energy: -6.094 Base-Backbone interact. energy: -0.004 local terms energy: -17.615989 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -3.735 flat angles P-C4'-P energy: -2.347 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: 4 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -20.835686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.835686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.835686 (E_RNA) where: Base-Base interactions energy: -6.640 where: short stacking energy: -6.640 Base-Backbone interact. energy: -0.000 local terms energy: -14.195798 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.152 flat angles C4'-P-C4' energy: -3.805 flat angles P-C4'-P energy: -2.420 tors. eta vs tors. theta energy: 0.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -28.403519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.403519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.403519 (E_RNA) where: Base-Base interactions energy: -7.176 where: short stacking energy: -7.176 Base-Backbone interact. energy: -0.001 local terms energy: -21.226717 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.820 flat angles P-C4'-P energy: -3.994 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: 9, replica: 7 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -23.445337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.445337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.445337 (E_RNA) where: Base-Base interactions energy: -6.314 where: short stacking energy: -6.314 Base-Backbone interact. energy: -0.000 local terms energy: -17.130851 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.411 flat angles P-C4'-P energy: -3.757 tors. eta vs tors. theta energy: 0.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -21.236433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.236433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.236433 (E_RNA) where: Base-Base interactions energy: -5.450 where: short stacking energy: -5.450 Base-Backbone interact. energy: -0.001 local terms energy: -15.786335 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -3.781 flat angles C4'-P-C4' energy: -4.199 flat angles P-C4'-P energy: -3.268 tors. eta vs tors. theta energy: -0.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -30.693558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.693558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.693558 (E_RNA) where: Base-Base interactions energy: -10.849 where: short stacking energy: -10.849 Base-Backbone interact. energy: -0.000 local terms energy: -19.844244 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -3.484 flat angles P-C4'-P energy: -2.202 tors. eta vs tors. theta energy: -5.370 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: 2 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -29.463076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.463076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.463076 (E_RNA) where: Base-Base interactions energy: -12.193 where: short stacking energy: -12.193 Base-Backbone interact. energy: -0.000 local terms energy: -17.270410 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -3.919 flat angles C4'-P-C4' energy: -4.333 flat angles P-C4'-P energy: -2.462 tors. eta vs tors. theta energy: -2.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -28.057375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.057375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.057375 (E_RNA) where: Base-Base interactions energy: -11.330 where: short stacking energy: -11.330 Base-Backbone interact. energy: -0.000 local terms energy: -16.727677 where: bonds (distance) C4'-P energy: -2.797 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.466 flat angles P-C4'-P energy: -0.649 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: 4, replica: 5 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -28.677755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.677755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.677755 (E_RNA) where: Base-Base interactions energy: -9.447 where: short stacking energy: -10.021 Base-Backbone interact. energy: -0.001 local terms energy: -19.229325 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -3.748 flat angles C4'-P-C4' energy: -4.238 flat angles P-C4'-P energy: -4.043 tors. eta vs tors. theta energy: -2.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -19.590882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.590882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.590882 (E_RNA) where: Base-Base interactions energy: -2.972 where: short stacking energy: -2.972 Base-Backbone interact. energy: -0.877 local terms energy: -15.741825 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.664 flat angles P-C4'-P energy: -3.441 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: 6, replica: 4 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -22.686290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.686290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.686290 (E_RNA) where: Base-Base interactions energy: -8.057 where: short stacking energy: -8.057 Base-Backbone interact. energy: -0.000 local terms energy: -14.628732 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -3.497 flat angles C4'-P-C4' energy: -3.889 flat angles P-C4'-P energy: -1.354 tors. eta vs tors. theta energy: -1.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -24.420186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.420186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.420186 (E_RNA) where: Base-Base interactions energy: -7.502 where: short stacking energy: -7.502 Base-Backbone interact. energy: -0.000 local terms energy: -16.917814 where: bonds (distance) C4'-P energy: -3.008 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.133 flat angles P-C4'-P energy: -2.744 tors. eta vs tors. theta energy: -1.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -22.075482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.075482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.075482 (E_RNA) where: Base-Base interactions energy: -4.973 where: short stacking energy: -4.973 Base-Backbone interact. energy: -0.000 local terms energy: -17.102133 where: bonds (distance) C4'-P energy: -3.128 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -4.266 flat angles P-C4'-P energy: -3.226 tors. eta vs tors. theta energy: -1.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -23.188471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.188471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.188471 (E_RNA) where: Base-Base interactions energy: -4.250 where: short stacking energy: -4.250 Base-Backbone interact. energy: -0.000 local terms energy: -18.938610 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.695 flat angles P-C4'-P energy: -2.943 tors. eta vs tors. theta energy: -3.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -21.166267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.166267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.166267 (E_RNA) where: Base-Base interactions energy: -4.118 where: short stacking energy: -4.118 Base-Backbone interact. energy: -0.000 local terms energy: -17.048061 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.379 flat angles P-C4'-P energy: -3.140 tors. eta vs tors. theta energy: -0.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -27.905739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.905739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.905739 (E_RNA) where: Base-Base interactions energy: -11.806 where: short stacking energy: -11.806 Base-Backbone interact. energy: -0.000 local terms energy: -16.100195 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -3.131 flat angles C4'-P-C4' energy: -3.373 flat angles P-C4'-P energy: -3.292 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: 2, replica: 9 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -30.097717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.097717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.097717 (E_RNA) where: Base-Base interactions energy: -11.072 where: short stacking energy: -11.072 Base-Backbone interact. energy: -0.000 local terms energy: -19.025577 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.123 flat angles P-C4'-P energy: -3.417 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: 5 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -22.679165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.679165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.679165 (E_RNA) where: Base-Base interactions energy: -7.545 where: short stacking energy: -7.545 Base-Backbone interact. energy: -0.000 local terms energy: -15.134584 where: bonds (distance) C4'-P energy: -3.050 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.961 flat angles P-C4'-P energy: -2.432 tors. eta vs tors. theta energy: -0.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -30.852695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.852695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.852695 (E_RNA) where: Base-Base interactions energy: -11.878 where: short stacking energy: -11.878 Base-Backbone interact. energy: -0.000 local terms energy: -18.974695 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.207 flat angles P-C4'-P energy: -3.631 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: 5, replica: 4 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -24.520156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.520156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.520156 (E_RNA) where: Base-Base interactions energy: -6.265 where: short stacking energy: -6.265 Base-Backbone interact. energy: -0.043 local terms energy: -18.212499 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.664 flat angles P-C4'-P energy: -1.258 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: 10 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -21.733869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.733869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.733869 (E_RNA) where: Base-Base interactions energy: -4.235 where: short stacking energy: -4.235 Base-Backbone interact. energy: -0.021 local terms energy: -17.477649 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.190 flat angles P-C4'-P energy: -3.950 tors. eta vs tors. theta energy: -0.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -21.757875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.757875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.757875 (E_RNA) where: Base-Base interactions energy: -4.343 where: short stacking energy: -4.343 Base-Backbone interact. energy: -0.000 local terms energy: -17.414519 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -3.783 flat angles P-C4'-P energy: -2.775 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: 8, replica: 1 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -22.434431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.434431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.434431 (E_RNA) where: Base-Base interactions energy: -3.757 where: short stacking energy: -3.757 Base-Backbone interact. energy: -0.019 local terms energy: -18.658089 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -3.984 flat angles C4'-P-C4' energy: -4.491 flat angles P-C4'-P energy: -3.939 tors. eta vs tors. theta energy: -2.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -21.088379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.088379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.088379 (E_RNA) where: Base-Base interactions energy: -7.357 where: short stacking energy: -7.357 Base-Backbone interact. energy: -0.043 local terms energy: -13.687846 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.051 flat angles C4'-P-C4' energy: -3.285 flat angles P-C4'-P energy: -1.413 tors. eta vs tors. theta energy: -0.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -22.663942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.663942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.663942 (E_RNA) where: Base-Base interactions energy: -4.567 where: short stacking energy: -4.567 Base-Backbone interact. energy: -0.000 local terms energy: -18.096561 where: bonds (distance) C4'-P energy: -2.830 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.132 flat angles P-C4'-P energy: -4.120 tors. eta vs tors. theta energy: -3.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -24.811082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.811082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.811082 (E_RNA) where: Base-Base interactions energy: -7.848 where: short stacking energy: -7.848 Base-Backbone interact. energy: -0.000 local terms energy: -16.962987 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -3.490 flat angles C4'-P-C4' energy: -4.187 flat angles P-C4'-P energy: -3.465 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: 2, replica: 5 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -24.171017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.171017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.171017 (E_RNA) where: Base-Base interactions energy: -7.777 where: short stacking energy: -7.777 Base-Backbone interact. energy: -0.097 local terms energy: -16.296982 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -3.349 flat angles C4'-P-C4' energy: -4.574 flat angles P-C4'-P energy: -3.643 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: 3, replica: 9 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -26.514279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.514279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.514279 (E_RNA) where: Base-Base interactions energy: -8.193 where: short stacking energy: -8.193 Base-Backbone interact. energy: -0.000 local terms energy: -18.321523 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.265 flat angles P-C4'-P energy: -2.690 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: 4, replica: 3 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -27.422863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.422863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.422863 (E_RNA) where: Base-Base interactions energy: -12.255 where: short stacking energy: -12.255 Base-Backbone interact. energy: -0.000 local terms energy: -15.167934 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -2.593 flat angles P-C4'-P energy: -1.295 tors. eta vs tors. theta energy: -2.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -25.482287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.482287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.482287 (E_RNA) where: Base-Base interactions energy: -8.098 where: short stacking energy: -8.098 Base-Backbone interact. energy: -0.000 local terms energy: -17.384032 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -3.874 flat angles C4'-P-C4' energy: -4.094 flat angles P-C4'-P energy: -3.285 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: 6, replica: 7 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -24.729437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.729437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.729437 (E_RNA) where: Base-Base interactions energy: -7.315 where: short stacking energy: -7.315 Base-Backbone interact. energy: -0.000 local terms energy: -17.413955 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -4.466 flat angles P-C4'-P energy: -2.724 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: 7, replica: 10 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -21.879967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.879967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.879967 (E_RNA) where: Base-Base interactions energy: -4.543 where: short stacking energy: -4.543 Base-Backbone interact. energy: -0.000 local terms energy: -17.336895 where: bonds (distance) C4'-P energy: -2.820 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -3.768 flat angles P-C4'-P energy: -2.220 tors. eta vs tors. theta energy: -3.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -29.226722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.226722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.226722 (E_RNA) where: Base-Base interactions energy: -10.610 where: short stacking energy: -10.610 Base-Backbone interact. energy: -0.016 local terms energy: -18.601145 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.449 flat angles P-C4'-P energy: -2.291 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: 9, replica: 1 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -22.545213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.545213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.545213 (E_RNA) where: Base-Base interactions energy: -5.710 where: short stacking energy: -5.710 Base-Backbone interact. energy: -0.000 local terms energy: -16.835226 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.766 flat angles P-C4'-P energy: -3.558 tors. eta vs tors. theta energy: -0.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -19.661464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.661464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.661464 (E_RNA) where: Base-Base interactions energy: -3.530 where: short stacking energy: -3.530 Base-Backbone interact. energy: -0.000 local terms energy: -16.130974 where: bonds (distance) C4'-P energy: -2.813 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.510 flat angles P-C4'-P energy: -2.693 tors. eta vs tors. theta energy: -1.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -25.526217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.526217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.526217 (E_RNA) where: Base-Base interactions energy: -6.476 where: short stacking energy: -6.476 Base-Backbone interact. energy: -0.081 local terms energy: -18.969524 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.367 flat angles C4'-P-C4' energy: -4.854 flat angles P-C4'-P energy: -3.865 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: 2, replica: 2 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -26.605947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.605947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.605947 (E_RNA) where: Base-Base interactions energy: -10.605 where: short stacking energy: -10.605 Base-Backbone interact. energy: -0.000 local terms energy: -16.000988 where: bonds (distance) C4'-P energy: -3.575 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.587 flat angles P-C4'-P energy: -1.106 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: 3, replica: 3 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -23.487526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.487526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.487526 (E_RNA) where: Base-Base interactions energy: -6.655 where: short stacking energy: -6.655 Base-Backbone interact. energy: -0.043 local terms energy: -16.789426 where: bonds (distance) C4'-P energy: -3.761 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -2.394 flat angles P-C4'-P energy: -3.787 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: 4, replica: 9 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -24.740965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.740965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.740965 (E_RNA) where: Base-Base interactions energy: -7.115 where: short stacking energy: -7.115 Base-Backbone interact. energy: -0.064 local terms energy: -17.561646 where: bonds (distance) C4'-P energy: -3.397 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.099 flat angles P-C4'-P energy: -2.652 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: 5, replica: 7 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -22.895278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.895278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.895278 (E_RNA) where: Base-Base interactions energy: -5.538 where: short stacking energy: -5.538 Base-Backbone interact. energy: -0.000 local terms energy: -17.357243 where: bonds (distance) C4'-P energy: -2.448 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.750 flat angles P-C4'-P energy: -3.539 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: 4 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -23.011235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.011235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.011235 (E_RNA) where: Base-Base interactions energy: -6.356 where: short stacking energy: -6.356 Base-Backbone interact. energy: -0.000 local terms energy: -16.655288 where: bonds (distance) C4'-P energy: -2.954 bonds (distance) P-C4' energy: -4.342 flat angles C4'-P-C4' energy: -1.842 flat angles P-C4'-P energy: -4.106 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: 6 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -20.351978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.351978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.351978 (E_RNA) where: Base-Base interactions energy: -4.171 where: short stacking energy: -4.171 Base-Backbone interact. energy: -0.092 local terms energy: -16.088834 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.222 flat angles P-C4'-P energy: -3.770 tors. eta vs tors. theta energy: -0.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -24.905588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.905588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.905588 (E_RNA) where: Base-Base interactions energy: -8.342 where: short stacking energy: -8.342 Base-Backbone interact. energy: -0.001 local terms energy: -16.562438 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.222 flat angles P-C4'-P energy: -3.254 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: 9, replica: 8 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -20.198582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.198582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.198582 (E_RNA) where: Base-Base interactions energy: -4.193 where: short stacking energy: -4.193 Base-Backbone interact. energy: -0.093 local terms energy: -15.912623 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -2.457 flat angles P-C4'-P energy: -4.091 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: 1 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -20.214606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.214606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.214606 (E_RNA) where: Base-Base interactions energy: -3.939 where: short stacking energy: -3.939 Base-Backbone interact. energy: -0.000 local terms energy: -16.275607 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.200 flat angles P-C4'-P energy: -2.362 tors. eta vs tors. theta energy: -0.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -28.507743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.507743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.507743 (E_RNA) where: Base-Base interactions energy: -8.367 where: short stacking energy: -8.367 Base-Backbone interact. energy: -0.000 local terms energy: -20.141158 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.444 flat angles P-C4'-P energy: -3.511 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: 2, replica: 3 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -33.175586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.175586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.175586 (E_RNA) where: Base-Base interactions energy: -12.728 where: short stacking energy: -12.728 Base-Backbone interact. energy: -0.011 local terms energy: -20.436624 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.153 flat angles P-C4'-P energy: -3.984 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: 3, replica: 2 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -25.561406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.561406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.561406 (E_RNA) where: Base-Base interactions energy: -5.812 where: short stacking energy: -5.812 Base-Backbone interact. energy: -0.039 local terms energy: -19.710217 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.750 flat angles P-C4'-P energy: -3.920 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: 4, replica: 7 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -25.986155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.986155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.986155 (E_RNA) where: Base-Base interactions energy: -8.673 where: short stacking energy: -8.673 Base-Backbone interact. energy: -0.259 local terms energy: -17.054696 where: bonds (distance) C4'-P energy: -3.053 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.326 flat angles P-C4'-P energy: -3.880 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: 5, replica: 9 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -27.621677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.621677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.621677 (E_RNA) where: Base-Base interactions energy: -8.594 where: short stacking energy: -8.594 Base-Backbone interact. energy: -0.000 local terms energy: -19.027426 where: bonds (distance) C4'-P energy: -4.750 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.574 flat angles P-C4'-P energy: -2.384 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: 6, replica: 4 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -22.955198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.955198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.955198 (E_RNA) where: Base-Base interactions energy: -7.054 where: short stacking energy: -7.054 Base-Backbone interact. energy: -0.002 local terms energy: -15.898759 where: bonds (distance) C4'-P energy: -1.923 bonds (distance) P-C4' energy: -4.110 flat angles C4'-P-C4' energy: -4.413 flat angles P-C4'-P energy: -3.389 tors. eta vs tors. theta energy: -2.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -23.990050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.990050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.990050 (E_RNA) where: Base-Base interactions energy: -8.296 where: short stacking energy: -8.296 Base-Backbone interact. energy: -0.000 local terms energy: -15.693902 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.291 flat angles P-C4'-P energy: -0.947 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: 8, replica: 8 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -23.356138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.356138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.356138 (E_RNA) where: Base-Base interactions energy: -7.867 where: short stacking energy: -7.867 Base-Backbone interact. energy: -0.041 local terms energy: -15.448165 where: bonds (distance) C4'-P energy: -2.804 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.766 flat angles P-C4'-P energy: -1.391 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: 9, replica: 10 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -21.832616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.832616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.832616 (E_RNA) where: Base-Base interactions energy: -7.492 where: short stacking energy: -7.492 Base-Backbone interact. energy: -0.000 local terms energy: -14.340669 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.400 flat angles P-C4'-P energy: -0.646 tors. eta vs tors. theta energy: -1.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -22.104976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.104976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.104976 (E_RNA) where: Base-Base interactions energy: -5.559 where: short stacking energy: -5.559 Base-Backbone interact. energy: -0.007 local terms energy: -16.538262 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -2.369 flat angles P-C4'-P energy: -3.688 tors. eta vs tors. theta energy: -1.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -28.613041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.613041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.613041 (E_RNA) where: Base-Base interactions energy: -7.533 where: short stacking energy: -7.533 Base-Backbone interact. energy: -0.000 local terms energy: -21.080025 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.053 flat angles C4'-P-C4' energy: -4.805 flat angles P-C4'-P energy: -3.692 tors. eta vs tors. theta energy: -4.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -27.344070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.344070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.344070 (E_RNA) where: Base-Base interactions energy: -11.106 where: short stacking energy: -11.106 Base-Backbone interact. energy: -0.000 local terms energy: -16.237443 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.416 flat angles P-C4'-P energy: -3.484 tors. eta vs tors. theta energy: -0.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -28.303919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.303919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.303919 (E_RNA) where: Base-Base interactions energy: -11.204 where: short stacking energy: -11.204 Base-Backbone interact. energy: -0.000 local terms energy: -17.100288 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -3.916 flat angles C4'-P-C4' energy: -4.485 flat angles P-C4'-P energy: -2.208 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: 4, replica: 2 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -22.791422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.791422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.791422 (E_RNA) where: Base-Base interactions energy: -6.945 where: short stacking energy: -6.945 Base-Backbone interact. energy: -0.001 local terms energy: -15.845429 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -1.377 flat angles P-C4'-P energy: -2.308 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: 5, replica: 4 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -22.478558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.478558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.478558 (E_RNA) where: Base-Base interactions energy: -7.227 where: short stacking energy: -7.227 Base-Backbone interact. energy: -0.000 local terms energy: -15.251430 where: bonds (distance) C4'-P energy: -2.102 bonds (distance) P-C4' energy: -3.889 flat angles C4'-P-C4' energy: -4.207 flat angles P-C4'-P energy: -3.617 tors. eta vs tors. theta energy: -1.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -23.989345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.989345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.989345 (E_RNA) where: Base-Base interactions energy: -10.779 where: short stacking energy: -10.779 Base-Backbone interact. energy: -0.000 local terms energy: -13.210823 where: bonds (distance) C4'-P energy: -3.202 bonds (distance) P-C4' energy: -2.898 flat angles C4'-P-C4' energy: -2.114 flat angles P-C4'-P energy: -1.891 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: 7, replica: 8 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -22.181878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.181878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.181878 (E_RNA) where: Base-Base interactions energy: -5.895 where: short stacking energy: -5.895 Base-Backbone interact. energy: -0.068 local terms energy: -16.219068 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.115 flat angles P-C4'-P energy: -1.907 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: 8, replica: 6 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -18.811455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.811455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.811455 (E_RNA) where: Base-Base interactions energy: -3.039 where: short stacking energy: -3.039 Base-Backbone interact. energy: -0.099 local terms energy: -15.674101 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.662 flat angles P-C4'-P energy: -2.135 tors. eta vs tors. theta energy: 0.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -24.098807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.098807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.098807 (E_RNA) where: Base-Base interactions energy: -5.656 where: short stacking energy: -5.656 Base-Backbone interact. energy: -0.000 local terms energy: -18.442631 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.419 flat angles P-C4'-P energy: -3.159 tors. eta vs tors. theta energy: -2.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -20.894722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.894722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.894722 (E_RNA) where: Base-Base interactions energy: -3.273 where: short stacking energy: -3.273 Base-Backbone interact. energy: -0.000 local terms energy: -17.622095 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -3.811 flat angles C4'-P-C4' energy: -4.717 flat angles P-C4'-P energy: -2.170 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: 1, replica: 3 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -28.147283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.147283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.147283 (E_RNA) where: Base-Base interactions energy: -10.746 where: short stacking energy: -10.746 Base-Backbone interact. energy: -0.000 local terms energy: -17.401300 where: bonds (distance) C4'-P energy: -3.036 bonds (distance) P-C4' energy: -3.490 flat angles C4'-P-C4' energy: -4.206 flat angles P-C4'-P energy: -3.425 tors. eta vs tors. theta energy: -3.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -29.145400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.145400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.145400 (E_RNA) where: Base-Base interactions energy: -10.159 where: short stacking energy: -10.159 Base-Backbone interact. energy: -0.000 local terms energy: -18.986114 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.169 flat angles P-C4'-P energy: -3.283 tors. eta vs tors. theta energy: -2.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -24.284754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.284754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.284754 (E_RNA) where: Base-Base interactions energy: -7.517 where: short stacking energy: -8.114 Base-Backbone interact. energy: -0.001 local terms energy: -16.766763 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -3.496 flat angles P-C4'-P energy: -3.551 tors. eta vs tors. theta energy: -0.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -25.550597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.550597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.550597 (E_RNA) where: Base-Base interactions energy: -7.949 where: short stacking energy: -7.949 Base-Backbone interact. energy: -0.000 local terms energy: -17.601808 where: bonds (distance) C4'-P energy: -2.023 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.053 flat angles P-C4'-P energy: -3.739 tors. eta vs tors. theta energy: -2.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -19.643677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.643677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.643677 (E_RNA) where: Base-Base interactions energy: -5.785 where: short stacking energy: -5.785 Base-Backbone interact. energy: -0.000 local terms energy: -13.858794 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -4.805 flat angles P-C4'-P energy: -1.295 tors. eta vs tors. theta energy: 0.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -23.009046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.009046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.009046 (E_RNA) where: Base-Base interactions energy: -7.135 where: short stacking energy: -7.135 Base-Backbone interact. energy: -0.002 local terms energy: -15.872862 where: bonds (distance) C4'-P energy: -3.708 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -3.943 flat angles P-C4'-P energy: -2.592 tors. eta vs tors. theta energy: -1.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -22.561634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.561634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.561634 (E_RNA) where: Base-Base interactions energy: -5.496 where: short stacking energy: -5.496 Base-Backbone interact. energy: -0.000 local terms energy: -17.065465 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -3.557 flat angles C4'-P-C4' energy: -3.561 flat angles P-C4'-P energy: -3.245 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: 8, replica: 1 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -24.047459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.047459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.047459 (E_RNA) where: Base-Base interactions energy: -11.570 where: short stacking energy: -11.570 Base-Backbone interact. energy: -0.000 local terms energy: -12.476620 where: bonds (distance) C4'-P energy: -0.283 bonds (distance) P-C4' energy: -2.413 flat angles C4'-P-C4' energy: -4.452 flat angles P-C4'-P energy: -3.956 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: 9, replica: 6 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -19.479487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.479487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.479487 (E_RNA) where: Base-Base interactions energy: -5.680 where: short stacking energy: -5.680 Base-Backbone interact. energy: -0.000 local terms energy: -13.799130 where: bonds (distance) C4'-P energy: -2.503 bonds (distance) P-C4' energy: -3.984 flat angles C4'-P-C4' energy: -2.965 flat angles P-C4'-P energy: -2.278 tors. eta vs tors. theta energy: -2.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -20.018930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.018930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.018930 (E_RNA) where: Base-Base interactions energy: -4.439 where: short stacking energy: -4.439 Base-Backbone interact. energy: -0.099 local terms energy: -15.481608 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.568 flat angles P-C4'-P energy: -1.601 tors. eta vs tors. theta energy: -1.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -23.035289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.035289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.035289 (E_RNA) where: Base-Base interactions energy: -4.903 where: short stacking energy: -4.903 Base-Backbone interact. energy: -0.007 local terms energy: -18.125655 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.133 flat angles P-C4'-P energy: -3.936 tors. eta vs tors. theta energy: -1.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -23.615899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.615899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.615899 (E_RNA) where: Base-Base interactions energy: -7.071 where: short stacking energy: -7.071 Base-Backbone interact. energy: -0.007 local terms energy: -16.537152 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.192 flat angles P-C4'-P energy: -3.177 tors. eta vs tors. theta energy: -0.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -26.853941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.853941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.853941 (E_RNA) where: Base-Base interactions energy: -11.506 where: short stacking energy: -11.506 Base-Backbone interact. energy: -0.000 local terms energy: -15.348416 where: bonds (distance) C4'-P energy: -1.224 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -2.332 flat angles P-C4'-P energy: -3.000 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: 4, replica: 5 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -28.343486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.343486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.343486 (E_RNA) where: Base-Base interactions energy: -8.237 where: short stacking energy: -8.237 Base-Backbone interact. energy: -0.000 local terms energy: -20.106636 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -4.721 flat angles P-C4'-P energy: -3.632 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: 5, replica: 8 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -23.919048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.919048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.919048 (E_RNA) where: Base-Base interactions energy: -6.785 where: short stacking energy: -6.785 Base-Backbone interact. energy: -0.000 local terms energy: -17.133418 where: bonds (distance) C4'-P energy: -3.335 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.363 flat angles P-C4'-P energy: -2.840 tors. eta vs tors. theta energy: -1.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -23.107073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.107073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.107073 (E_RNA) where: Base-Base interactions energy: -3.853 where: short stacking energy: -3.853 Base-Backbone interact. energy: -0.004 local terms energy: -19.249628 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.620 flat angles P-C4'-P energy: -4.036 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: 1 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -22.829080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.829080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.829080 (E_RNA) where: Base-Base interactions energy: -6.680 where: short stacking energy: -6.680 Base-Backbone interact. energy: -0.000 local terms energy: -16.149027 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.628 flat angles P-C4'-P energy: -2.513 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: 8, replica: 9 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -20.727392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.727392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.727392 (E_RNA) where: Base-Base interactions energy: -6.039 where: short stacking energy: -6.039 Base-Backbone interact. energy: -0.097 local terms energy: -14.590768 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -3.941 flat angles C4'-P-C4' energy: -2.458 flat angles P-C4'-P energy: -3.224 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: 9, replica: 10 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -22.062796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.062796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.062796 (E_RNA) where: Base-Base interactions energy: -6.756 where: short stacking energy: -6.756 Base-Backbone interact. energy: -0.000 local terms energy: -15.307016 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.709 flat angles P-C4'-P energy: -2.449 tors. eta vs tors. theta energy: -0.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -20.828722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.828722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.828722 (E_RNA) where: Base-Base interactions energy: -4.195 where: short stacking energy: -4.195 Base-Backbone interact. energy: -0.079 local terms energy: -16.554590 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.807 flat angles P-C4'-P energy: -4.042 tors. eta vs tors. theta energy: 0.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -30.466661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.466661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.466661 (E_RNA) where: Base-Base interactions energy: -10.793 where: short stacking energy: -10.793 Base-Backbone interact. energy: -0.000 local terms energy: -19.674134 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -3.064 flat angles C4'-P-C4' energy: -3.797 flat angles P-C4'-P energy: -3.521 tors. eta vs tors. theta energy: -4.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -24.738502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.738502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.738502 (E_RNA) where: Base-Base interactions energy: -8.306 where: short stacking energy: -8.306 Base-Backbone interact. energy: -0.009 local terms energy: -16.423856 where: bonds (distance) C4'-P energy: -3.032 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.345 flat angles P-C4'-P energy: -3.370 tors. eta vs tors. theta energy: -0.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -27.572724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.572724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.572724 (E_RNA) where: Base-Base interactions energy: -9.903 where: short stacking energy: -9.903 Base-Backbone interact. energy: -0.000 local terms energy: -17.669354 where: bonds (distance) C4'-P energy: -3.273 bonds (distance) P-C4' energy: -3.332 flat angles C4'-P-C4' energy: -4.640 flat angles P-C4'-P energy: -2.738 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: 4, replica: 8 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -25.120571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.120571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.120571 (E_RNA) where: Base-Base interactions energy: -6.895 where: short stacking energy: -6.895 Base-Backbone interact. energy: -0.011 local terms energy: -18.214776 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.413 flat angles P-C4'-P energy: -3.198 tors. eta vs tors. theta energy: -1.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -24.766957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.766957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.766957 (E_RNA) where: Base-Base interactions energy: -7.917 where: short stacking energy: -7.917 Base-Backbone interact. energy: -0.001 local terms energy: -16.848118 where: bonds (distance) C4'-P energy: -3.761 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.372 flat angles P-C4'-P energy: -2.090 tors. eta vs tors. theta energy: -2.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -25.393464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.393464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.393464 (E_RNA) where: Base-Base interactions energy: -8.218 where: short stacking energy: -8.218 Base-Backbone interact. energy: -0.000 local terms energy: -17.175103 where: bonds (distance) C4'-P energy: -2.714 bonds (distance) P-C4' energy: -3.941 flat angles C4'-P-C4' energy: -3.359 flat angles P-C4'-P energy: -3.172 tors. eta vs tors. theta energy: -3.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -26.326943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.326943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.326943 (E_RNA) where: Base-Base interactions energy: -9.225 where: short stacking energy: -9.225 Base-Backbone interact. energy: -0.000 local terms energy: -17.101968 where: bonds (distance) C4'-P energy: -2.796 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.233 flat angles P-C4'-P energy: -2.728 tors. eta vs tors. theta energy: -2.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -21.073660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.073660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.073660 (E_RNA) where: Base-Base interactions energy: -6.961 where: short stacking energy: -6.961 Base-Backbone interact. energy: -0.000 local terms energy: -14.112751 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -2.317 flat angles C4'-P-C4' energy: -3.746 flat angles P-C4'-P energy: -1.286 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: 9 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -26.147464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.147464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.147464 (E_RNA) where: Base-Base interactions energy: -11.526 where: short stacking energy: -11.526 Base-Backbone interact. energy: -0.000 local terms energy: -14.621545 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -3.100 flat angles C4'-P-C4' energy: -3.791 flat angles P-C4'-P energy: -0.794 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: 10, replica: 6 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -21.151831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.151831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.151831 (E_RNA) where: Base-Base interactions energy: -4.447 where: short stacking energy: -4.447 Base-Backbone interact. energy: -0.000 local terms energy: -16.704468 where: bonds (distance) C4'-P energy: -2.743 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.589 flat angles P-C4'-P energy: -3.575 tors. eta vs tors. theta energy: -1.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -27.342243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.342243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.342243 (E_RNA) where: Base-Base interactions energy: -6.797 where: short stacking energy: -6.797 Base-Backbone interact. energy: -0.031 local terms energy: -20.514103 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.433 flat angles P-C4'-P energy: -3.936 tors. eta vs tors. theta energy: -2.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -30.809942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.809942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.809942 (E_RNA) where: Base-Base interactions energy: -11.652 where: short stacking energy: -11.652 Base-Backbone interact. energy: -0.000 local terms energy: -19.157895 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.492 flat angles P-C4'-P energy: -3.685 tors. eta vs tors. theta energy: -2.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -26.054150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.054150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.054150 (E_RNA) where: Base-Base interactions energy: -7.912 where: short stacking energy: -7.912 Base-Backbone interact. energy: -0.078 local terms energy: -18.064515 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -4.575 flat angles C4'-P-C4' energy: -4.324 flat angles P-C4'-P energy: -2.894 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: 4, replica: 8 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -25.111225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.111225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.111225 (E_RNA) where: Base-Base interactions energy: -6.466 where: short stacking energy: -6.466 Base-Backbone interact. energy: -0.004 local terms energy: -18.641187 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -4.678 flat angles C4'-P-C4' energy: -3.711 flat angles P-C4'-P energy: -3.430 tors. eta vs tors. theta energy: -3.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -23.505360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.505360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.505360 (E_RNA) where: Base-Base interactions energy: -6.561 where: short stacking energy: -6.561 Base-Backbone interact. energy: -0.000 local terms energy: -16.944474 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.433 flat angles P-C4'-P energy: -1.676 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: 6, replica: 5 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -27.575732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.575732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.575732 (E_RNA) where: Base-Base interactions energy: -10.063 where: short stacking energy: -10.063 Base-Backbone interact. energy: -0.000 local terms energy: -17.512503 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.106 flat angles C4'-P-C4' energy: -4.131 flat angles P-C4'-P energy: -3.453 tors. eta vs tors. theta energy: -1.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -20.863443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.863443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.863443 (E_RNA) where: Base-Base interactions energy: -4.143 where: short stacking energy: -4.143 Base-Backbone interact. energy: -0.017 local terms energy: -16.703411 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.044 flat angles C4'-P-C4' energy: -3.779 flat angles P-C4'-P energy: -2.499 tors. eta vs tors. theta energy: -2.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -25.210371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.210371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.210371 (E_RNA) where: Base-Base interactions energy: -6.986 where: short stacking energy: -6.986 Base-Backbone interact. energy: -0.000 local terms energy: -18.224063 where: bonds (distance) C4'-P energy: -3.344 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.416 flat angles P-C4'-P energy: -3.159 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: 9, replica: 6 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -21.092676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.092676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.092676 (E_RNA) where: Base-Base interactions energy: -5.594 where: short stacking energy: -5.594 Base-Backbone interact. energy: -0.001 local terms energy: -15.497955 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -1.561 flat angles P-C4'-P energy: -3.126 tors. eta vs tors. theta energy: -1.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -19.785995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.785995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.785995 (E_RNA) where: Base-Base interactions energy: -4.354 where: short stacking energy: -4.440 Base-Backbone interact. energy: -0.164 local terms energy: -15.268040 where: bonds (distance) C4'-P energy: -4.535 bonds (distance) P-C4' energy: -1.716 flat angles C4'-P-C4' energy: -4.172 flat angles P-C4'-P energy: -3.984 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: 291 Temperature: 0.900000 Total energy: -32.730429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.730429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.730429 (E_RNA) where: Base-Base interactions energy: -11.841 where: short stacking energy: -11.841 Base-Backbone interact. energy: -0.000 local terms energy: -20.889166 where: bonds (distance) C4'-P energy: -3.823 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -3.818 flat angles P-C4'-P energy: -3.420 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: 7 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -24.863719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.863719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.863719 (E_RNA) where: Base-Base interactions energy: -10.492 where: short stacking energy: -10.492 Base-Backbone interact. energy: -0.002 local terms energy: -14.369357 where: bonds (distance) C4'-P energy: -2.415 bonds (distance) P-C4' energy: -3.966 flat angles C4'-P-C4' energy: -3.427 flat angles P-C4'-P energy: -3.502 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: 3, replica: 3 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -29.114244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.114244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.114244 (E_RNA) where: Base-Base interactions energy: -7.922 where: short stacking energy: -7.922 Base-Backbone interact. energy: -0.001 local terms energy: -21.191251 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.839 flat angles P-C4'-P energy: -3.758 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: 4, replica: 1 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -25.701185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.701185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.701185 (E_RNA) where: Base-Base interactions energy: -7.715 where: short stacking energy: -7.715 Base-Backbone interact. energy: -0.000 local terms energy: -17.985933 where: bonds (distance) C4'-P energy: -2.051 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.694 flat angles P-C4'-P energy: -3.034 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: 8 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -25.977594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.977594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.977594 (E_RNA) where: Base-Base interactions energy: -7.112 where: short stacking energy: -7.112 Base-Backbone interact. energy: -0.065 local terms energy: -18.800464 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -3.763 flat angles P-C4'-P energy: -2.803 tors. eta vs tors. theta energy: -3.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -23.675618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.675618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.675618 (E_RNA) where: Base-Base interactions energy: -6.187 where: short stacking energy: -6.187 Base-Backbone interact. energy: -0.000 local terms energy: -17.488966 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.835 flat angles P-C4'-P energy: -3.005 tors. eta vs tors. theta energy: -0.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -23.126964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.126964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.126964 (E_RNA) where: Base-Base interactions energy: -7.332 where: short stacking energy: -7.332 Base-Backbone interact. energy: -0.016 local terms energy: -15.778696 where: bonds (distance) C4'-P energy: -1.037 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.456 flat angles P-C4'-P energy: -2.939 tors. eta vs tors. theta energy: -2.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -22.276247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.276247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.276247 (E_RNA) where: Base-Base interactions energy: -5.247 where: short stacking energy: -5.247 Base-Backbone interact. energy: -0.000 local terms energy: -17.029164 where: bonds (distance) C4'-P energy: -3.042 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -4.544 flat angles P-C4'-P energy: -2.958 tors. eta vs tors. theta energy: -1.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -24.190271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.190271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.190271 (E_RNA) where: Base-Base interactions energy: -6.733 where: short stacking energy: -6.733 Base-Backbone interact. energy: -0.002 local terms energy: -17.455193 where: bonds (distance) C4'-P energy: -3.185 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.530 flat angles P-C4'-P energy: -3.417 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: 10, replica: 9 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -21.332012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.332012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.332012 (E_RNA) where: Base-Base interactions energy: -4.752 where: short stacking energy: -4.752 Base-Backbone interact. energy: -0.160 local terms energy: -16.420209 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -4.324 flat angles P-C4'-P energy: -3.206 tors. eta vs tors. theta energy: -1.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -27.494256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.494256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.494256 (E_RNA) where: Base-Base interactions energy: -7.934 where: short stacking energy: -7.934 Base-Backbone interact. energy: -0.000 local terms energy: -19.560522 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.648 flat angles P-C4'-P energy: -3.632 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: 2, replica: 4 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -23.833797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.833797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.833797 (E_RNA) where: Base-Base interactions energy: -6.304 where: short stacking energy: -6.304 Base-Backbone interact. energy: -0.128 local terms energy: -17.402523 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.201 flat angles P-C4'-P energy: -3.688 tors. eta vs tors. theta energy: -0.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -26.783542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.783542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.783542 (E_RNA) where: Base-Base interactions energy: -7.677 where: short stacking energy: -7.677 Base-Backbone interact. energy: -0.002 local terms energy: -19.104859 where: bonds (distance) C4'-P energy: -3.673 bonds (distance) P-C4' energy: -4.413 flat angles C4'-P-C4' energy: -4.698 flat angles P-C4'-P energy: -3.105 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: 4, replica: 3 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -24.955460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.955460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.955460 (E_RNA) where: Base-Base interactions energy: -7.682 where: short stacking energy: -7.682 Base-Backbone interact. energy: -0.000 local terms energy: -17.273809 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -4.395 flat angles C4'-P-C4' energy: -4.610 flat angles P-C4'-P energy: -3.384 tors. eta vs tors. theta energy: -0.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -24.810155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.810155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.810155 (E_RNA) where: Base-Base interactions energy: -6.120 where: short stacking energy: -6.120 Base-Backbone interact. energy: -0.007 local terms energy: -18.683904 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.049 flat angles P-C4'-P energy: -2.508 tors. eta vs tors. theta energy: -2.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -25.929776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.929776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.929776 (E_RNA) where: Base-Base interactions energy: -7.253 where: short stacking energy: -7.253 Base-Backbone interact. energy: -0.000 local terms energy: -18.676444 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.956 flat angles P-C4'-P energy: -3.275 tors. eta vs tors. theta energy: -2.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -23.319439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.319439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.319439 (E_RNA) where: Base-Base interactions energy: -7.708 where: short stacking energy: -7.708 Base-Backbone interact. energy: -0.000 local terms energy: -15.611489 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -1.359 flat angles P-C4'-P energy: -2.497 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: 8, replica: 5 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -25.300058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.300058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.300058 (E_RNA) where: Base-Base interactions energy: -10.578 where: short stacking energy: -10.578 Base-Backbone interact. energy: -0.000 local terms energy: -14.721730 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -3.360 flat angles C4'-P-C4' energy: -2.947 flat angles P-C4'-P energy: -0.858 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: 9 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -22.403300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.403300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.403300 (E_RNA) where: Base-Base interactions energy: -3.758 where: short stacking energy: -3.758 Base-Backbone interact. energy: -0.000 local terms energy: -18.645334 where: bonds (distance) C4'-P energy: -3.277 bonds (distance) P-C4' energy: -4.311 flat angles C4'-P-C4' energy: -3.145 flat angles P-C4'-P energy: -3.617 tors. eta vs tors. theta energy: -4.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -21.459944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.459944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.459944 (E_RNA) where: Base-Base interactions energy: -5.858 where: short stacking energy: -5.858 Base-Backbone interact. energy: -0.000 local terms energy: -15.601796 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -3.659 flat angles C4'-P-C4' energy: -3.284 flat angles P-C4'-P energy: -3.065 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: 1, replica: 7 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -27.798471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.798471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.798471 (E_RNA) where: Base-Base interactions energy: -8.213 where: short stacking energy: -8.213 Base-Backbone interact. energy: -0.000 local terms energy: -19.585965 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -3.946 flat angles P-C4'-P energy: -2.726 tors. eta vs tors. theta energy: -4.269 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: 4 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -28.580539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.580539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.580539 (E_RNA) where: Base-Base interactions energy: -11.225 where: short stacking energy: -11.225 Base-Backbone interact. energy: -0.000 local terms energy: -17.355367 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -4.500 flat angles P-C4'-P energy: -1.954 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: 1 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -25.185019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.185019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.185019 (E_RNA) where: Base-Base interactions energy: -7.103 where: short stacking energy: -7.103 Base-Backbone interact. energy: -0.001 local terms energy: -18.080974 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -3.991 flat angles C4'-P-C4' energy: -4.820 flat angles P-C4'-P energy: -3.019 tors. eta vs tors. theta energy: -1.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -29.158465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.158465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.158465 (E_RNA) where: Base-Base interactions energy: -12.889 where: short stacking energy: -12.889 Base-Backbone interact. energy: -0.005 local terms energy: -16.264484 where: bonds (distance) C4'-P energy: -2.704 bonds (distance) P-C4' energy: -3.892 flat angles C4'-P-C4' energy: -4.678 flat angles P-C4'-P energy: -3.740 tors. eta vs tors. theta energy: -1.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -28.752132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.752132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.752132 (E_RNA) where: Base-Base interactions energy: -9.113 where: short stacking energy: -9.113 Base-Backbone interact. energy: -0.000 local terms energy: -19.638879 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.749 flat angles P-C4'-P energy: -1.882 tors. eta vs tors. theta energy: -4.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -24.284194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.284194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.284194 (E_RNA) where: Base-Base interactions energy: -7.988 where: short stacking energy: -7.988 Base-Backbone interact. energy: -0.000 local terms energy: -16.296177 where: bonds (distance) C4'-P energy: -3.008 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -4.818 flat angles P-C4'-P energy: -2.870 tors. eta vs tors. theta energy: -1.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -21.668490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.668490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.668490 (E_RNA) where: Base-Base interactions energy: -7.813 where: short stacking energy: -7.813 Base-Backbone interact. energy: -0.000 local terms energy: -13.855965 where: bonds (distance) C4'-P energy: -2.518 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -1.363 flat angles P-C4'-P energy: -1.938 tors. eta vs tors. theta energy: -2.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -23.234659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.234659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.234659 (E_RNA) where: Base-Base interactions energy: -6.499 where: short stacking energy: -6.499 Base-Backbone interact. energy: -0.000 local terms energy: -16.735588 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -5.104 flat angles C4'-P-C4' energy: -4.683 flat angles P-C4'-P energy: -1.697 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: 9 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -19.832756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.832756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.832756 (E_RNA) where: Base-Base interactions energy: -6.200 where: short stacking energy: -6.200 Base-Backbone interact. energy: -0.060 local terms energy: -13.572195 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -3.096 flat angles C4'-P-C4' energy: -3.963 flat angles P-C4'-P energy: -3.051 tors. eta vs tors. theta energy: 0.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -21.908923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.908923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.908923 (E_RNA) where: Base-Base interactions energy: -7.168 where: short stacking energy: -7.168 Base-Backbone interact. energy: -0.002 local terms energy: -14.738933 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.681 flat angles P-C4'-P energy: -2.154 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: 1, replica: 4 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -25.596083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.596083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.596083 (E_RNA) where: Base-Base interactions energy: -7.646 where: short stacking energy: -7.646 Base-Backbone interact. energy: -0.000 local terms energy: -17.950326 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -2.865 flat angles P-C4'-P energy: -2.851 tors. eta vs tors. theta energy: -3.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -25.018908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.018908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.018908 (E_RNA) where: Base-Base interactions energy: -8.030 where: short stacking energy: -8.030 Base-Backbone interact. energy: -0.000 local terms energy: -16.988869 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -2.925 flat angles P-C4'-P energy: -2.611 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: 3, replica: 10 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -22.080676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.080676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.080676 (E_RNA) where: Base-Base interactions energy: -7.842 where: short stacking energy: -7.842 Base-Backbone interact. energy: -0.082 local terms energy: -14.156632 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -1.046 flat angles P-C4'-P energy: -2.535 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: 1 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -22.767271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.767271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.767271 (E_RNA) where: Base-Base interactions energy: -8.030 where: short stacking energy: -8.030 Base-Backbone interact. energy: -0.000 local terms energy: -14.737638 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -3.514 flat angles P-C4'-P energy: -2.478 tors. eta vs tors. theta energy: -0.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -21.323561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.323561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.323561 (E_RNA) where: Base-Base interactions energy: -4.372 where: short stacking energy: -4.372 Base-Backbone interact. energy: -0.000 local terms energy: -16.951340 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -3.375 flat angles P-C4'-P energy: -2.179 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: 6, replica: 3 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -23.098652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.098652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.098652 (E_RNA) where: Base-Base interactions energy: -6.510 where: short stacking energy: -6.510 Base-Backbone interact. energy: -0.038 local terms energy: -16.551261 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -2.198 flat angles P-C4'-P energy: -3.121 tors. eta vs tors. theta energy: -2.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -22.219906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.219906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.219906 (E_RNA) where: Base-Base interactions energy: -6.817 where: short stacking energy: -6.817 Base-Backbone interact. energy: -0.001 local terms energy: -15.402096 where: bonds (distance) C4'-P energy: -2.743 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.491 flat angles P-C4'-P energy: -2.426 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: 8 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -25.772863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.772863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.772863 (E_RNA) where: Base-Base interactions energy: -9.277 where: short stacking energy: -9.277 Base-Backbone interact. energy: -0.000 local terms energy: -16.495933 where: bonds (distance) C4'-P energy: -2.544 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.115 flat angles P-C4'-P energy: -1.731 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: 2 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -22.601442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.601442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.601442 (E_RNA) where: Base-Base interactions energy: -5.422 where: short stacking energy: -5.422 Base-Backbone interact. energy: -0.000 local terms energy: -17.179472 where: bonds (distance) C4'-P energy: -3.645 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.095 flat angles P-C4'-P energy: -2.566 tors. eta vs tors. theta energy: -1.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -24.204342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.204342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.204342 (E_RNA) where: Base-Base interactions energy: -9.328 where: short stacking energy: -9.328 Base-Backbone interact. energy: -0.000 local terms energy: -14.876465 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.502 flat angles P-C4'-P energy: -1.908 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: 4 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -26.067958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.067958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.067958 (E_RNA) where: Base-Base interactions energy: -7.877 where: short stacking energy: -7.877 Base-Backbone interact. energy: -0.007 local terms energy: -18.183436 where: bonds (distance) C4'-P energy: -2.920 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.797 flat angles P-C4'-P energy: -3.051 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: 2, replica: 10 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -27.496398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.496398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.496398 (E_RNA) where: Base-Base interactions energy: -8.028 where: short stacking energy: -8.028 Base-Backbone interact. energy: -0.000 local terms energy: -19.467838 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.758 flat angles P-C4'-P energy: -3.029 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: 3, replica: 7 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -27.722481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.722481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.722481 (E_RNA) where: Base-Base interactions energy: -11.308 where: short stacking energy: -11.308 Base-Backbone interact. energy: -0.000 local terms energy: -16.414894 where: bonds (distance) C4'-P energy: -2.271 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -4.500 flat angles P-C4'-P energy: -2.273 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: 4, replica: 6 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -25.541222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.541222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.541222 (E_RNA) where: Base-Base interactions energy: -7.693 where: short stacking energy: -7.693 Base-Backbone interact. energy: -0.001 local terms energy: -17.847638 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.735 flat angles P-C4'-P energy: -3.211 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: 5, replica: 1 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -22.299631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.299631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.299631 (E_RNA) where: Base-Base interactions energy: -3.357 where: short stacking energy: -3.357 Base-Backbone interact. energy: -0.638 local terms energy: -18.304577 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.642 flat angles P-C4'-P energy: -3.119 tors. eta vs tors. theta energy: -1.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -22.547378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.547378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.547378 (E_RNA) where: Base-Base interactions energy: -8.079 where: short stacking energy: -8.079 Base-Backbone interact. energy: -0.030 local terms energy: -14.437712 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -2.988 flat angles P-C4'-P energy: -2.392 tors. eta vs tors. theta energy: 0.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -20.881328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.881328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.881328 (E_RNA) where: Base-Base interactions energy: -5.075 where: short stacking energy: -5.075 Base-Backbone interact. energy: -0.000 local terms energy: -15.806681 where: bonds (distance) C4'-P energy: -2.954 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.583 flat angles P-C4'-P energy: -3.197 tors. eta vs tors. theta energy: -1.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -23.615339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.615339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.615339 (E_RNA) where: Base-Base interactions energy: -4.508 where: short stacking energy: -4.508 Base-Backbone interact. energy: -0.095 local terms energy: -19.011964 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -4.098 flat angles P-C4'-P energy: -3.815 tors. eta vs tors. theta energy: -2.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -24.316763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.316763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.316763 (E_RNA) where: Base-Base interactions energy: -9.708 where: short stacking energy: -10.266 Base-Backbone interact. energy: -0.066 local terms energy: -14.543162 where: bonds (distance) C4'-P energy: -2.812 bonds (distance) P-C4' energy: -3.892 flat angles C4'-P-C4' energy: -3.383 flat angles P-C4'-P energy: -2.052 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: 10, replica: 9 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -23.165909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.165909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.165909 (E_RNA) where: Base-Base interactions energy: -7.201 where: short stacking energy: -7.201 Base-Backbone interact. energy: -0.037 local terms energy: -15.927681 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.590 flat angles P-C4'-P energy: -0.520 tors. eta vs tors. theta energy: -2.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -30.014841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.014841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.014841 (E_RNA) where: Base-Base interactions energy: -11.135 where: short stacking energy: -11.135 Base-Backbone interact. energy: -0.000 local terms energy: -18.879938 where: bonds (distance) C4'-P energy: -3.451 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -1.919 flat angles P-C4'-P energy: -3.788 tors. eta vs tors. theta energy: -4.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -25.464906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.464906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.464906 (E_RNA) where: Base-Base interactions energy: -8.150 where: short stacking energy: -8.150 Base-Backbone interact. energy: -0.000 local terms energy: -17.314427 where: bonds (distance) C4'-P energy: -3.273 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.544 flat angles P-C4'-P energy: -3.052 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: 3, replica: 6 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -23.779835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.779835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.779835 (E_RNA) where: Base-Base interactions energy: -6.907 where: short stacking energy: -6.907 Base-Backbone interact. energy: -0.001 local terms energy: -16.871724 where: bonds (distance) C4'-P energy: -3.277 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -2.799 flat angles P-C4'-P energy: -3.420 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: 4, replica: 7 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -26.457532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.457532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.457532 (E_RNA) where: Base-Base interactions energy: -9.472 where: short stacking energy: -9.472 Base-Backbone interact. energy: -0.000 local terms energy: -16.985082 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.867 flat angles C4'-P-C4' energy: -3.661 flat angles P-C4'-P energy: -1.010 tors. eta vs tors. theta energy: -3.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -25.436080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.436080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.436080 (E_RNA) where: Base-Base interactions energy: -11.031 where: short stacking energy: -11.031 Base-Backbone interact. energy: -0.000 local terms energy: -14.404848 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -2.845 flat angles C4'-P-C4' energy: -3.743 flat angles P-C4'-P energy: -1.447 tors. eta vs tors. theta energy: -1.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -23.491139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.491139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.491139 (E_RNA) where: Base-Base interactions energy: -6.006 where: short stacking energy: -6.006 Base-Backbone interact. energy: -0.000 local terms energy: -17.485100 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -3.265 flat angles C4'-P-C4' energy: -4.644 flat angles P-C4'-P energy: -3.843 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: 7, replica: 2 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -22.013442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.013442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.013442 (E_RNA) where: Base-Base interactions energy: -5.733 where: short stacking energy: -5.733 Base-Backbone interact. energy: -0.003 local terms energy: -16.278125 where: bonds (distance) C4'-P energy: -3.169 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.157 flat angles P-C4'-P energy: -2.885 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: 8, replica: 3 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -23.687246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.687246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.687246 (E_RNA) where: Base-Base interactions energy: -6.803 where: short stacking energy: -6.803 Base-Backbone interact. energy: -0.001 local terms energy: -16.883845 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -3.529 flat angles C4'-P-C4' energy: -4.335 flat angles P-C4'-P energy: -3.683 tors. eta vs tors. theta energy: -0.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -20.721554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.721554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.721554 (E_RNA) where: Base-Base interactions energy: -2.801 where: short stacking energy: -2.801 Base-Backbone interact. energy: -0.000 local terms energy: -17.920266 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.885 flat angles P-C4'-P energy: -2.418 tors. eta vs tors. theta energy: -2.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -23.663522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.663522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.663522 (E_RNA) where: Base-Base interactions energy: -9.794 where: short stacking energy: -9.794 Base-Backbone interact. energy: -0.000 local terms energy: -13.869356 where: bonds (distance) C4'-P energy: -2.146 bonds (distance) P-C4' energy: -3.301 flat angles C4'-P-C4' energy: -4.786 flat angles P-C4'-P energy: -0.027 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: 10 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -25.174949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.174949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.174949 (E_RNA) where: Base-Base interactions energy: -8.184 where: short stacking energy: -8.184 Base-Backbone interact. energy: -0.023 local terms energy: -16.968024 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.082 flat angles P-C4'-P energy: -3.300 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: 2, replica: 6 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -27.246707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.246707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.246707 (E_RNA) where: Base-Base interactions energy: -9.792 where: short stacking energy: -9.792 Base-Backbone interact. energy: -0.000 local terms energy: -17.455165 where: bonds (distance) C4'-P energy: -2.387 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.752 flat angles P-C4'-P energy: -1.923 tors. eta vs tors. theta energy: -3.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -28.945353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.945353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.945353 (E_RNA) where: Base-Base interactions energy: -11.774 where: short stacking energy: -11.774 Base-Backbone interact. energy: -0.000 local terms energy: -17.171790 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.173 flat angles P-C4'-P energy: -0.636 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: 4, replica: 7 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -29.507636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.507636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.507636 (E_RNA) where: Base-Base interactions energy: -9.552 where: short stacking energy: -9.552 Base-Backbone interact. energy: -0.000 local terms energy: -19.955617 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.675 flat angles P-C4'-P energy: -3.892 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: 5 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -26.141895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.141895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.141895 (E_RNA) where: Base-Base interactions energy: -8.628 where: short stacking energy: -8.628 Base-Backbone interact. energy: -0.003 local terms energy: -17.511318 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -3.966 flat angles C4'-P-C4' energy: -4.290 flat angles P-C4'-P energy: -2.555 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: 2 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -23.229367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.229367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.229367 (E_RNA) where: Base-Base interactions energy: -8.173 where: short stacking energy: -8.173 Base-Backbone interact. energy: -0.081 local terms energy: -14.975320 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -3.721 flat angles P-C4'-P energy: -3.389 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: 7, replica: 1 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -25.277070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.277070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.277070 (E_RNA) where: Base-Base interactions energy: -6.792 where: short stacking energy: -6.792 Base-Backbone interact. energy: -0.000 local terms energy: -18.485442 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.758 flat angles P-C4'-P energy: -2.440 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: 9 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -22.839940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.839940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.839940 (E_RNA) where: Base-Base interactions energy: -3.396 where: short stacking energy: -3.396 Base-Backbone interact. energy: -0.000 local terms energy: -19.444054 where: bonds (distance) C4'-P energy: -2.812 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -3.165 flat angles P-C4'-P energy: -3.624 tors. eta vs tors. theta energy: -5.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -25.526445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.526445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.526445 (E_RNA) where: Base-Base interactions energy: -7.592 where: short stacking energy: -7.592 Base-Backbone interact. energy: -0.000 local terms energy: -17.934097 where: bonds (distance) C4'-P energy: -2.751 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.426 flat angles P-C4'-P energy: -2.737 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: 10, replica: 8 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -22.567156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.567156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.567156 (E_RNA) where: Base-Base interactions energy: -8.157 where: short stacking energy: -8.157 Base-Backbone interact. energy: -0.012 local terms energy: -14.397551 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -2.205 flat angles P-C4'-P energy: -1.897 tors. eta vs tors. theta energy: -0.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -28.627267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.627267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.627267 (E_RNA) where: Base-Base interactions energy: -11.298 where: short stacking energy: -11.298 Base-Backbone interact. energy: -0.051 local terms energy: -17.277568 where: bonds (distance) C4'-P energy: -3.897 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.724 flat angles P-C4'-P energy: -3.404 tors. eta vs tors. theta energy: -1.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -23.970676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.970676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.970676 (E_RNA) where: Base-Base interactions energy: -8.525 where: short stacking energy: -8.525 Base-Backbone interact. energy: -0.096 local terms energy: -15.349512 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.339 flat angles P-C4'-P energy: -0.742 tors. eta vs tors. theta energy: -0.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -23.269321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.269321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.269321 (E_RNA) where: Base-Base interactions energy: -4.019 where: short stacking energy: -4.019 Base-Backbone interact. energy: -0.008 local terms energy: -19.242578 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.887 flat angles P-C4'-P energy: -4.117 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: 4, replica: 4 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -26.433676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.433676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.433676 (E_RNA) where: Base-Base interactions energy: -10.927 where: short stacking energy: -10.927 Base-Backbone interact. energy: -0.000 local terms energy: -15.506962 where: bonds (distance) C4'-P energy: -2.556 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -3.641 flat angles P-C4'-P energy: -2.211 tors. eta vs tors. theta energy: -2.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -22.135480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.135480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.135480 (E_RNA) where: Base-Base interactions energy: -4.964 where: short stacking energy: -4.964 Base-Backbone interact. energy: -0.028 local terms energy: -17.143396 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.997 flat angles P-C4'-P energy: -3.672 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: 6, replica: 5 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -25.622232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.622232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.622232 (E_RNA) where: Base-Base interactions energy: -7.318 where: short stacking energy: -7.318 Base-Backbone interact. energy: -0.000 local terms energy: -18.304187 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.613 flat angles P-C4'-P energy: -1.877 tors. eta vs tors. theta energy: -2.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -20.126280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.126280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.126280 (E_RNA) where: Base-Base interactions energy: -7.347 where: short stacking energy: -7.347 Base-Backbone interact. energy: -0.000 local terms energy: -12.779264 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -3.079 flat angles C4'-P-C4' energy: -3.884 flat angles P-C4'-P energy: -2.107 tors. eta vs tors. theta energy: -0.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -19.896829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.896829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.896829 (E_RNA) where: Base-Base interactions energy: -8.174 where: short stacking energy: -8.174 Base-Backbone interact. energy: -0.001 local terms energy: -11.721551 where: bonds (distance) C4'-P energy: -0.751 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.365 flat angles P-C4'-P energy: -2.147 tors. eta vs tors. theta energy: 0.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -19.254077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.254077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.254077 (E_RNA) where: Base-Base interactions energy: -3.273 where: short stacking energy: -3.273 Base-Backbone interact. energy: -0.094 local terms energy: -15.887570 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.377 flat angles P-C4'-P energy: -3.709 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: 10, replica: 3 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -23.278856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.278856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.278856 (E_RNA) where: Base-Base interactions energy: -5.848 where: short stacking energy: -5.848 Base-Backbone interact. energy: -0.000 local terms energy: -17.430524 where: bonds (distance) C4'-P energy: -2.805 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.677 flat angles P-C4'-P energy: -2.845 tors. eta vs tors. theta energy: -2.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -31.105047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.105047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.105047 (E_RNA) where: Base-Base interactions energy: -11.700 where: short stacking energy: -11.700 Base-Backbone interact. energy: -0.000 local terms energy: -19.404730 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.103 flat angles P-C4'-P energy: -3.683 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: 2, replica: 10 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -29.298032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.298032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.298032 (E_RNA) where: Base-Base interactions energy: -11.584 where: short stacking energy: -11.584 Base-Backbone interact. energy: -0.000 local terms energy: -17.714304 where: bonds (distance) C4'-P energy: -2.776 bonds (distance) P-C4' energy: -4.205 flat angles C4'-P-C4' energy: -4.628 flat angles P-C4'-P energy: -3.036 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: 7 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -25.487851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.487851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.487851 (E_RNA) where: Base-Base interactions energy: -5.551 where: short stacking energy: -5.551 Base-Backbone interact. energy: -0.000 local terms energy: -19.937071 where: bonds (distance) C4'-P energy: -4.750 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.295 flat angles P-C4'-P energy: -2.251 tors. eta vs tors. theta energy: -4.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -26.821993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.821993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.821993 (E_RNA) where: Base-Base interactions energy: -9.018 where: short stacking energy: -9.018 Base-Backbone interact. energy: -0.002 local terms energy: -17.802831 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -2.424 flat angles P-C4'-P energy: -2.823 tors. eta vs tors. theta energy: -3.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -28.231575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.231575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.231575 (E_RNA) where: Base-Base interactions energy: -10.596 where: short stacking energy: -10.596 Base-Backbone interact. energy: -0.000 local terms energy: -17.635185 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -3.944 flat angles C4'-P-C4' energy: -4.472 flat angles P-C4'-P energy: -2.587 tors. eta vs tors. theta energy: -3.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -22.464537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.464537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.464537 (E_RNA) where: Base-Base interactions energy: -3.648 where: short stacking energy: -3.648 Base-Backbone interact. energy: -0.012 local terms energy: -18.804534 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.307 flat angles P-C4'-P energy: -3.120 tors. eta vs tors. theta energy: -3.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -20.917973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.917973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.917973 (E_RNA) where: Base-Base interactions energy: -6.375 where: short stacking energy: -6.375 Base-Backbone interact. energy: -0.428 local terms energy: -14.115448 where: bonds (distance) C4'-P energy: -2.386 bonds (distance) P-C4' energy: -4.392 flat angles C4'-P-C4' energy: -3.936 flat angles P-C4'-P energy: -3.672 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: 8, replica: 1 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -23.606254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.606254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.606254 (E_RNA) where: Base-Base interactions energy: -7.463 where: short stacking energy: -7.463 Base-Backbone interact. energy: -0.072 local terms energy: -16.070942 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -3.339 flat angles C4'-P-C4' energy: -4.046 flat angles P-C4'-P energy: -3.892 tors. eta vs tors. theta energy: -0.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -19.595053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.595053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.595053 (E_RNA) where: Base-Base interactions energy: -3.477 where: short stacking energy: -3.477 Base-Backbone interact. energy: -1.064 local terms energy: -15.053642 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -2.669 flat angles P-C4'-P energy: -3.257 tors. eta vs tors. theta energy: -0.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -24.671344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.671344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.671344 (E_RNA) where: Base-Base interactions energy: -9.408 where: short stacking energy: -9.408 Base-Backbone interact. energy: -0.000 local terms energy: -15.263599 where: bonds (distance) C4'-P energy: -0.611 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.443 flat angles P-C4'-P energy: -2.639 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: 1, replica: 10 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -31.405737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.405737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.405737 (E_RNA) where: Base-Base interactions energy: -12.194 where: short stacking energy: -12.194 Base-Backbone interact. energy: -0.000 local terms energy: -19.212043 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.572 flat angles P-C4'-P energy: -3.369 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: 6 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -24.948589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.948589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.948589 (E_RNA) where: Base-Base interactions energy: -8.104 where: short stacking energy: -8.104 Base-Backbone interact. energy: -0.005 local terms energy: -16.839383 where: bonds (distance) C4'-P energy: -2.304 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.780 flat angles P-C4'-P energy: -3.599 tors. eta vs tors. theta energy: -2.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -27.404421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.404421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.404421 (E_RNA) where: Base-Base interactions energy: -10.005 where: short stacking energy: -10.005 Base-Backbone interact. energy: -0.016 local terms energy: -17.383237 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -4.464 flat angles P-C4'-P energy: -2.262 tors. eta vs tors. theta energy: -1.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -24.245089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.245089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.245089 (E_RNA) where: Base-Base interactions energy: -6.610 where: short stacking energy: -6.610 Base-Backbone interact. energy: -0.000 local terms energy: -17.635501 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.267 flat angles P-C4'-P energy: -2.279 tors. eta vs tors. theta energy: -2.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -28.567018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.567018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.567018 (E_RNA) where: Base-Base interactions energy: -11.368 where: short stacking energy: -11.368 Base-Backbone interact. energy: -0.000 local terms energy: -17.199209 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -1.617 flat angles P-C4'-P energy: -3.149 tors. eta vs tors. theta energy: -2.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -23.002478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.002478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.002478 (E_RNA) where: Base-Base interactions energy: -5.254 where: short stacking energy: -5.254 Base-Backbone interact. energy: 0.444 local terms energy: -18.192671 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -4.491 flat angles P-C4'-P energy: -2.993 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: 7, replica: 1 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -26.236647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.236647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.236647 (E_RNA) where: Base-Base interactions energy: -7.838 where: short stacking energy: -7.838 Base-Backbone interact. energy: -0.000 local terms energy: -18.398214 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.095 flat angles P-C4'-P energy: -1.123 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: 8, replica: 5 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -23.725307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.725307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.725307 (E_RNA) where: Base-Base interactions energy: -6.974 where: short stacking energy: -7.159 Base-Backbone interact. energy: 0.173 local terms energy: -16.924403 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.207 flat angles P-C4'-P energy: -2.118 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: 9, replica: 3 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -21.108615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.108615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.108615 (E_RNA) where: Base-Base interactions energy: -4.339 where: short stacking energy: -4.339 Base-Backbone interact. energy: -0.053 local terms energy: -16.716871 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -3.098 flat angles P-C4'-P energy: -3.096 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: 10, replica: 8 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -18.585147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.585147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.585147 (E_RNA) where: Base-Base interactions energy: -3.877 where: short stacking energy: -3.877 Base-Backbone interact. energy: -0.001 local terms energy: -14.706747 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -3.790 flat angles C4'-P-C4' energy: -3.891 flat angles P-C4'-P energy: -3.001 tors. eta vs tors. theta energy: 0.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -25.306781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.306781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.306781 (E_RNA) where: Base-Base interactions energy: -9.780 where: short stacking energy: -9.780 Base-Backbone interact. energy: -0.000 local terms energy: -15.526615 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -3.553 flat angles C4'-P-C4' energy: -4.117 flat angles P-C4'-P energy: -0.974 tors. eta vs tors. theta energy: -2.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -26.331061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.331061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.331061 (E_RNA) where: Base-Base interactions energy: -10.411 where: short stacking energy: -10.411 Base-Backbone interact. energy: -0.000 local terms energy: -15.920329 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -3.683 flat angles C4'-P-C4' energy: -2.634 flat angles P-C4'-P energy: -1.294 tors. eta vs tors. theta energy: -3.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -30.678548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.678548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.678548 (E_RNA) where: Base-Base interactions energy: -10.509 where: short stacking energy: -10.509 Base-Backbone interact. energy: -0.000 local terms energy: -20.169958 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -5.128 flat angles C4'-P-C4' energy: -4.378 flat angles P-C4'-P energy: -2.233 tors. eta vs tors. theta energy: -3.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -30.234677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.234677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.234677 (E_RNA) where: Base-Base interactions energy: -8.484 where: short stacking energy: -8.484 Base-Backbone interact. energy: -0.000 local terms energy: -21.750270 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.564 flat angles P-C4'-P energy: -4.199 tors. eta vs tors. theta energy: -3.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -22.896380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.896380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.896380 (E_RNA) where: Base-Base interactions energy: -7.464 where: short stacking energy: -7.464 Base-Backbone interact. energy: -0.001 local terms energy: -15.430905 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -3.815 flat angles C4'-P-C4' energy: -4.047 flat angles P-C4'-P energy: -2.657 tors. eta vs tors. theta energy: -1.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -25.278367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.278367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.278367 (E_RNA) where: Base-Base interactions energy: -9.450 where: short stacking energy: -9.450 Base-Backbone interact. energy: -0.000 local terms energy: -15.828109 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.419 flat angles P-C4'-P energy: -1.754 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: 7, replica: 4 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -24.069655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.069655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.069655 (E_RNA) where: Base-Base interactions energy: -8.224 where: short stacking energy: -8.224 Base-Backbone interact. energy: -0.000 local terms energy: -15.845387 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.119 flat angles P-C4'-P energy: -2.605 tors. eta vs tors. theta energy: -0.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -21.766575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.766575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.766575 (E_RNA) where: Base-Base interactions energy: -6.838 where: short stacking energy: -6.838 Base-Backbone interact. energy: -0.093 local terms energy: -14.834992 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -3.332 flat angles C4'-P-C4' energy: -4.693 flat angles P-C4'-P energy: -2.698 tors. eta vs tors. theta energy: -0.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -27.175152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.175152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.175152 (E_RNA) where: Base-Base interactions energy: -8.170 where: short stacking energy: -8.170 Base-Backbone interact. energy: 0.120 local terms energy: -19.124729 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -3.981 flat angles P-C4'-P energy: -1.784 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: 10, replica: 8 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -20.658961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.658961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.658961 (E_RNA) where: Base-Base interactions energy: -3.024 where: short stacking energy: -3.024 Base-Backbone interact. energy: -0.000 local terms energy: -17.634460 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -3.644 flat angles P-C4'-P energy: -1.629 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: 1, replica: 2 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -29.215599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.215599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.215599 (E_RNA) where: Base-Base interactions energy: -11.086 where: short stacking energy: -11.086 Base-Backbone interact. energy: -0.000 local terms energy: -18.129611 where: bonds (distance) C4'-P energy: -3.451 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -4.294 flat angles P-C4'-P energy: -3.573 tors. eta vs tors. theta energy: -2.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -25.008093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.008093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.008093 (E_RNA) where: Base-Base interactions energy: -8.608 where: short stacking energy: -8.608 Base-Backbone interact. energy: -0.000 local terms energy: -16.399665 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -3.821 flat angles C4'-P-C4' energy: -2.973 flat angles P-C4'-P energy: -3.130 tors. eta vs tors. theta energy: -2.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -26.480550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.480550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.480550 (E_RNA) where: Base-Base interactions energy: -10.977 where: short stacking energy: -10.977 Base-Backbone interact. energy: -0.000 local terms energy: -15.503752 where: bonds (distance) C4'-P energy: -3.708 bonds (distance) P-C4' energy: -3.301 flat angles C4'-P-C4' energy: -2.955 flat angles P-C4'-P energy: -2.421 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: 4, replica: 9 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -23.604452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.604452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.604452 (E_RNA) where: Base-Base interactions energy: -8.626 where: short stacking energy: -8.626 Base-Backbone interact. energy: -0.000 local terms energy: -14.978144 where: bonds (distance) C4'-P energy: -2.867 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.409 flat angles P-C4'-P energy: -2.524 tors. eta vs tors. theta energy: 0.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -23.669879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.669879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.669879 (E_RNA) where: Base-Base interactions energy: -8.296 where: short stacking energy: -8.296 Base-Backbone interact. energy: -0.003 local terms energy: -15.371587 where: bonds (distance) C4'-P energy: -4.643 bonds (distance) P-C4' energy: -3.748 flat angles C4'-P-C4' energy: -1.884 flat angles P-C4'-P energy: -3.424 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: 6, replica: 7 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -21.140429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.140429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.140429 (E_RNA) where: Base-Base interactions energy: -3.334 where: short stacking energy: -3.334 Base-Backbone interact. energy: -0.015 local terms energy: -17.791049 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.570 flat angles P-C4'-P energy: -3.192 tors. eta vs tors. theta energy: -1.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -23.985536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.985536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.985536 (E_RNA) where: Base-Base interactions energy: -6.652 where: short stacking energy: -6.652 Base-Backbone interact. energy: -0.000 local terms energy: -17.333697 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -2.612 flat angles C4'-P-C4' energy: -4.820 flat angles P-C4'-P energy: -1.612 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: 8, replica: 4 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -24.509494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.509494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.509494 (E_RNA) where: Base-Base interactions energy: -7.955 where: short stacking energy: -7.955 Base-Backbone interact. energy: -0.001 local terms energy: -16.554215 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.185 flat angles P-C4'-P energy: -2.770 tors. eta vs tors. theta energy: -0.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -22.987724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.987724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.987724 (E_RNA) where: Base-Base interactions energy: -8.242 where: short stacking energy: -8.242 Base-Backbone interact. energy: -0.000 local terms energy: -14.745204 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -2.120 flat angles P-C4'-P energy: -2.387 tors. eta vs tors. theta energy: -1.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -21.741368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.741368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.741368 (E_RNA) where: Base-Base interactions energy: -7.251 where: short stacking energy: -7.251 Base-Backbone interact. energy: -0.001 local terms energy: -14.489188 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -2.789 flat angles P-C4'-P energy: -2.932 tors. eta vs tors. theta energy: 0.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -26.331394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.331394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.331394 (E_RNA) where: Base-Base interactions energy: -7.656 where: short stacking energy: -7.656 Base-Backbone interact. energy: -0.000 local terms energy: -18.675073 where: bonds (distance) C4'-P energy: -3.683 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.573 flat angles P-C4'-P energy: -2.701 tors. eta vs tors. theta energy: -2.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -28.106842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.106842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.106842 (E_RNA) where: Base-Base interactions energy: -10.129 where: short stacking energy: -10.129 Base-Backbone interact. energy: -0.000 local terms energy: -17.978325 where: bonds (distance) C4'-P energy: -3.277 bonds (distance) P-C4' energy: -3.885 flat angles C4'-P-C4' energy: -3.626 flat angles P-C4'-P energy: -3.501 tors. eta vs tors. theta energy: -3.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -22.853560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.853560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.853560 (E_RNA) where: Base-Base interactions energy: -3.994 where: short stacking energy: -3.994 Base-Backbone interact. energy: -0.000 local terms energy: -18.859451 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.736 flat angles P-C4'-P energy: -2.221 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: 4, replica: 1 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -24.122965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.122965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.122965 (E_RNA) where: Base-Base interactions energy: -7.199 where: short stacking energy: -7.199 Base-Backbone interact. energy: -0.000 local terms energy: -16.924053 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.118 flat angles P-C4'-P energy: -3.152 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: 5, replica: 9 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -25.875468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.875468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.875468 (E_RNA) where: Base-Base interactions energy: -11.593 where: short stacking energy: -11.593 Base-Backbone interact. energy: -0.001 local terms energy: -14.281656 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.149 flat angles C4'-P-C4' energy: -4.294 flat angles P-C4'-P energy: -1.756 tors. eta vs tors. theta energy: 0.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -22.738791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.738791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.738791 (E_RNA) where: Base-Base interactions energy: -4.703 where: short stacking energy: -4.703 Base-Backbone interact. energy: -0.000 local terms energy: -18.035447 where: bonds (distance) C4'-P energy: -4.009 bonds (distance) P-C4' energy: -4.572 flat angles C4'-P-C4' energy: -4.279 flat angles P-C4'-P energy: -3.546 tors. eta vs tors. theta energy: -1.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -22.501442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.501442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.501442 (E_RNA) where: Base-Base interactions energy: -6.661 where: short stacking energy: -6.661 Base-Backbone interact. energy: -0.070 local terms energy: -15.770375 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.346 flat angles P-C4'-P energy: -0.716 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: 8, replica: 8 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -21.854515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.854515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.854515 (E_RNA) where: Base-Base interactions energy: -4.505 where: short stacking energy: -3.413 Base-Backbone interact. energy: -1.054 local terms energy: -16.296256 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -3.582 flat angles C4'-P-C4' energy: -4.498 flat angles P-C4'-P energy: -3.052 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: 4 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -29.467723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.467723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.467723 (E_RNA) where: Base-Base interactions energy: -11.691 where: short stacking energy: -11.691 Base-Backbone interact. energy: -0.000 local terms energy: -17.776408 where: bonds (distance) C4'-P energy: -3.152 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.345 flat angles P-C4'-P energy: -2.490 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: 5 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -22.644773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.644773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.644773 (E_RNA) where: Base-Base interactions energy: -4.260 where: short stacking energy: -4.260 Base-Backbone interact. energy: -0.000 local terms energy: -18.384539 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.839 flat angles P-C4'-P energy: -3.770 tors. eta vs tors. theta energy: -1.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -29.405274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.405274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.405274 (E_RNA) where: Base-Base interactions energy: -10.098 where: short stacking energy: -10.098 Base-Backbone interact. energy: -0.000 local terms energy: -19.307483 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -1.895 flat angles P-C4'-P energy: -3.666 tors. eta vs tors. theta energy: -4.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -27.611723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.611723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.611723 (E_RNA) where: Base-Base interactions energy: -11.074 where: short stacking energy: -11.074 Base-Backbone interact. energy: -0.028 local terms energy: -16.509775 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -3.793 flat angles C4'-P-C4' energy: -4.201 flat angles P-C4'-P energy: -3.388 tors. eta vs tors. theta energy: -1.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -27.037265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.037265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.037265 (E_RNA) where: Base-Base interactions energy: -10.075 where: short stacking energy: -10.075 Base-Backbone interact. energy: -0.000 local terms energy: -16.962399 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.045 flat angles P-C4'-P energy: -3.259 tors. eta vs tors. theta energy: -2.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -22.856081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.856081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.856081 (E_RNA) where: Base-Base interactions energy: -8.689 where: short stacking energy: -8.689 Base-Backbone interact. energy: -0.075 local terms energy: -14.091245 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -2.758 flat angles P-C4'-P energy: -0.678 tors. eta vs tors. theta energy: -1.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -27.729931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.729931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.729931 (E_RNA) where: Base-Base interactions energy: -8.246 where: short stacking energy: -8.246 Base-Backbone interact. energy: -0.000 local terms energy: -19.484299 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -3.557 flat angles C4'-P-C4' energy: -4.820 flat angles P-C4'-P energy: -2.908 tors. eta vs tors. theta energy: -4.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -19.839770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.839770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.839770 (E_RNA) where: Base-Base interactions energy: -3.199 where: short stacking energy: -3.199 Base-Backbone interact. energy: -0.358 local terms energy: -16.283385 where: bonds (distance) C4'-P energy: -3.036 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -4.580 flat angles P-C4'-P energy: -2.599 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: 7, replica: 8 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -21.782561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.782561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.782561 (E_RNA) where: Base-Base interactions energy: -8.184 where: short stacking energy: -8.184 Base-Backbone interact. energy: -0.000 local terms energy: -13.598169 where: bonds (distance) C4'-P energy: -1.198 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.789 flat angles P-C4'-P energy: -3.072 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: 8, replica: 7 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -22.712673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.712673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.712673 (E_RNA) where: Base-Base interactions energy: -6.286 where: short stacking energy: -6.286 Base-Backbone interact. energy: -0.000 local terms energy: -16.426252 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -3.578 flat angles C4'-P-C4' energy: -4.467 flat angles P-C4'-P energy: -3.092 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: 4 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -26.141065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.141065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.141065 (E_RNA) where: Base-Base interactions energy: -7.163 where: short stacking energy: -7.163 Base-Backbone interact. energy: -0.000 local terms energy: -18.977608 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.978 flat angles P-C4'-P energy: -2.952 tors. eta vs tors. theta energy: -2.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -22.002398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.002398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.002398 (E_RNA) where: Base-Base interactions energy: -6.539 where: short stacking energy: -6.539 Base-Backbone interact. energy: -0.000 local terms energy: -15.463376 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.644 flat angles P-C4'-P energy: -1.552 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: 1, replica: 6 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -29.840560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.840560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.840560 (E_RNA) where: Base-Base interactions energy: -10.693 where: short stacking energy: -10.693 Base-Backbone interact. energy: -0.000 local terms energy: -19.147349 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -3.053 flat angles P-C4'-P energy: -1.904 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: 10 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -24.627500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.627500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.627500 (E_RNA) where: Base-Base interactions energy: -6.862 where: short stacking energy: -6.862 Base-Backbone interact. energy: -0.000 local terms energy: -17.765149 where: bonds (distance) C4'-P energy: -2.912 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -4.628 flat angles P-C4'-P energy: -3.338 tors. eta vs tors. theta energy: -2.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -26.754463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.754463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.754463 (E_RNA) where: Base-Base interactions energy: -9.312 where: short stacking energy: -9.312 Base-Backbone interact. energy: -0.000 local terms energy: -17.442776 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.805 flat angles P-C4'-P energy: -1.714 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: 4, replica: 3 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -28.074885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.074885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.074885 (E_RNA) where: Base-Base interactions energy: -8.127 where: short stacking energy: -8.127 Base-Backbone interact. energy: -0.386 local terms energy: -19.561452 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.379 flat angles P-C4'-P energy: -2.960 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: 5, replica: 1 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -26.314550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.314550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.314550 (E_RNA) where: Base-Base interactions energy: -9.730 where: short stacking energy: -9.730 Base-Backbone interact. energy: -0.000 local terms energy: -16.584309 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.129 flat angles P-C4'-P energy: -1.000 tors. eta vs tors. theta energy: -2.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -23.317996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.317996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.317996 (E_RNA) where: Base-Base interactions energy: -5.426 where: short stacking energy: -5.426 Base-Backbone interact. energy: -0.000 local terms energy: -17.891623 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -2.707 flat angles P-C4'-P energy: -2.824 tors. eta vs tors. theta energy: -3.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -23.341398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.341398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.341398 (E_RNA) where: Base-Base interactions energy: -8.080 where: short stacking energy: -8.080 Base-Backbone interact. energy: -0.022 local terms energy: -15.238883 where: bonds (distance) C4'-P energy: -3.309 bonds (distance) P-C4' energy: -3.007 flat angles C4'-P-C4' energy: -4.279 flat angles P-C4'-P energy: -3.065 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: 4 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -20.921100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.921100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.921100 (E_RNA) where: Base-Base interactions energy: -6.070 where: short stacking energy: -6.070 Base-Backbone interact. energy: -0.001 local terms energy: -14.849817 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -4.051 flat angles C4'-P-C4' energy: -3.091 flat angles P-C4'-P energy: -1.917 tors. eta vs tors. theta energy: -2.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -25.208111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.208111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.208111 (E_RNA) where: Base-Base interactions energy: -9.824 where: short stacking energy: -9.824 Base-Backbone interact. energy: -0.098 local terms energy: -15.285703 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -3.892 flat angles C4'-P-C4' energy: -2.551 flat angles P-C4'-P energy: -2.071 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: 10, replica: 5 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -26.947770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.947770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.947770 (E_RNA) where: Base-Base interactions energy: -9.462 where: short stacking energy: -9.462 Base-Backbone interact. energy: -0.000 local terms energy: -17.485541 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -2.587 flat angles P-C4'-P energy: -3.127 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: 1, replica: 10 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -31.360684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.360684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.360684 (E_RNA) where: Base-Base interactions energy: -10.782 where: short stacking energy: -10.782 Base-Backbone interact. energy: -0.000 local terms energy: -20.579004 where: bonds (distance) C4'-P energy: -2.681 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.736 flat angles P-C4'-P energy: -3.281 tors. eta vs tors. theta energy: -4.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -23.814621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.814621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.814621 (E_RNA) where: Base-Base interactions energy: -4.816 where: short stacking energy: -4.816 Base-Backbone interact. energy: -0.032 local terms energy: -18.966684 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.697 flat angles P-C4'-P energy: -3.110 tors. eta vs tors. theta energy: -1.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -25.798408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.798408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.798408 (E_RNA) where: Base-Base interactions energy: -6.923 where: short stacking energy: -6.923 Base-Backbone interact. energy: -0.000 local terms energy: -18.875608 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.867 flat angles C4'-P-C4' energy: -3.787 flat angles P-C4'-P energy: -3.890 tors. eta vs tors. theta energy: -2.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -24.427545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.427545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.427545 (E_RNA) where: Base-Base interactions energy: -7.138 where: short stacking energy: -7.138 Base-Backbone interact. energy: -0.000 local terms energy: -17.289055 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -4.609 flat angles P-C4'-P energy: -3.554 tors. eta vs tors. theta energy: -0.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -23.246499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.246499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.246499 (E_RNA) where: Base-Base interactions energy: -7.330 where: short stacking energy: -7.330 Base-Backbone interact. energy: -0.017 local terms energy: -15.899056 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.620 flat angles P-C4'-P energy: -2.702 tors. eta vs tors. theta energy: 0.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -19.748399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.748399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.748399 (E_RNA) where: Base-Base interactions energy: -5.590 where: short stacking energy: -5.590 Base-Backbone interact. energy: 0.450 local terms energy: -14.608167 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -3.364 flat angles C4'-P-C4' energy: -3.566 flat angles P-C4'-P energy: -3.873 tors. eta vs tors. theta energy: -0.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -21.749224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.749224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.749224 (E_RNA) where: Base-Base interactions energy: -6.174 where: short stacking energy: -6.174 Base-Backbone interact. energy: -0.035 local terms energy: -15.539714 where: bonds (distance) C4'-P energy: -3.301 bonds (distance) P-C4' energy: -3.966 flat angles C4'-P-C4' energy: -4.173 flat angles P-C4'-P energy: -2.510 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: 8, replica: 9 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -22.937412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.937412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.937412 (E_RNA) where: Base-Base interactions energy: -5.092 where: short stacking energy: -5.092 Base-Backbone interact. energy: -0.029 local terms energy: -17.816522 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.731 flat angles P-C4'-P energy: -3.464 tors. eta vs tors. theta energy: -1.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -20.865992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.865992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.865992 (E_RNA) where: Base-Base interactions energy: -4.775 where: short stacking energy: -4.775 Base-Backbone interact. energy: -0.996 local terms energy: -15.094820 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.726 flat angles P-C4'-P energy: -2.476 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: 10, replica: 7 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -21.082726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.082726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.082726 (E_RNA) where: Base-Base interactions energy: -6.125 where: short stacking energy: -6.125 Base-Backbone interact. energy: -0.000 local terms energy: -14.957730 where: bonds (distance) C4'-P energy: -3.273 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.738 flat angles P-C4'-P energy: -1.136 tors. eta vs tors. theta energy: -1.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -24.531162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.531162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.531162 (E_RNA) where: Base-Base interactions energy: -7.439 where: short stacking energy: -7.439 Base-Backbone interact. energy: -0.039 local terms energy: -17.053717 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.554 flat angles P-C4'-P energy: -2.418 tors. eta vs tors. theta energy: -0.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -29.469801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.469801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.469801 (E_RNA) where: Base-Base interactions energy: -11.404 where: short stacking energy: -11.404 Base-Backbone interact. energy: -0.000 local terms energy: -18.065379 where: bonds (distance) C4'-P energy: -3.425 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.539 flat angles P-C4'-P energy: -1.700 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: 3, replica: 6 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -22.243061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.243061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.243061 (E_RNA) where: Base-Base interactions energy: -6.160 where: short stacking energy: -6.160 Base-Backbone interact. energy: -0.085 local terms energy: -15.997653 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.398 flat angles P-C4'-P energy: -2.555 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: 4, replica: 8 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -28.874983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.874983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.874983 (E_RNA) where: Base-Base interactions energy: -11.379 where: short stacking energy: -11.379 Base-Backbone interact. energy: -0.002 local terms energy: -17.494731 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -3.301 flat angles C4'-P-C4' energy: -4.434 flat angles P-C4'-P energy: -3.548 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: 5, replica: 2 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -25.729082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.729082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.729082 (E_RNA) where: Base-Base interactions energy: -7.683 where: short stacking energy: -7.683 Base-Backbone interact. energy: -0.000 local terms energy: -18.046354 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.474 flat angles P-C4'-P energy: -2.051 tors. eta vs tors. theta energy: -3.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -21.961854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.961854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.961854 (E_RNA) where: Base-Base interactions energy: -3.772 where: short stacking energy: -3.772 Base-Backbone interact. energy: -0.000 local terms energy: -18.189504 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -2.476 flat angles P-C4'-P energy: -2.681 tors. eta vs tors. theta energy: -3.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -20.916977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.916977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.916977 (E_RNA) where: Base-Base interactions energy: -8.974 where: short stacking energy: -8.974 Base-Backbone interact. energy: -0.000 local terms energy: -11.943371 where: bonds (distance) C4'-P energy: -2.564 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -3.900 flat angles P-C4'-P energy: 0.263 tors. eta vs tors. theta energy: -1.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -20.812807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.812807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.812807 (E_RNA) where: Base-Base interactions energy: -4.432 where: short stacking energy: -4.432 Base-Backbone interact. energy: -0.000 local terms energy: -16.381095 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -3.132 flat angles P-C4'-P energy: -2.406 tors. eta vs tors. theta energy: -2.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -20.849401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.849401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.849401 (E_RNA) where: Base-Base interactions energy: -5.760 where: short stacking energy: -5.760 Base-Backbone interact. energy: -0.006 local terms energy: -15.083849 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -2.839 flat angles C4'-P-C4' energy: -3.516 flat angles P-C4'-P energy: -3.035 tors. eta vs tors. theta energy: -1.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -19.112918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.112918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.112918 (E_RNA) where: Base-Base interactions energy: -5.232 where: short stacking energy: -5.232 Base-Backbone interact. energy: -0.002 local terms energy: -13.878788 where: bonds (distance) C4'-P energy: -2.564 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -2.865 flat angles P-C4'-P energy: -2.454 tors. eta vs tors. theta energy: -0.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -26.177486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.177486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.177486 (E_RNA) where: Base-Base interactions energy: -6.714 where: short stacking energy: -6.714 Base-Backbone interact. energy: -0.018 local terms energy: -19.445812 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.173 flat angles P-C4'-P energy: -3.738 tors. eta vs tors. theta energy: -3.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -29.389573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.389573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.389573 (E_RNA) where: Base-Base interactions energy: -11.530 where: short stacking energy: -11.530 Base-Backbone interact. energy: -0.000 local terms energy: -17.859448 where: bonds (distance) C4'-P energy: -3.575 bonds (distance) P-C4' energy: -4.569 flat angles C4'-P-C4' energy: -3.777 flat angles P-C4'-P energy: -2.316 tors. eta vs tors. theta energy: -3.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -23.837832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.837832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.837832 (E_RNA) where: Base-Base interactions energy: -3.067 where: short stacking energy: -3.067 Base-Backbone interact. energy: -0.000 local terms energy: -20.770818 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.462 flat angles P-C4'-P energy: -3.376 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: 4, replica: 6 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -24.229878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.229878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.229878 (E_RNA) where: Base-Base interactions energy: -7.043 where: short stacking energy: -7.043 Base-Backbone interact. energy: -0.000 local terms energy: -17.187348 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.148 flat angles P-C4'-P energy: -3.862 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: 5, replica: 4 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -27.088961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.088961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.088961 (E_RNA) where: Base-Base interactions energy: -9.852 where: short stacking energy: -9.852 Base-Backbone interact. energy: -0.000 local terms energy: -17.237238 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -3.981 flat angles C4'-P-C4' energy: -3.878 flat angles P-C4'-P energy: -3.051 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: 6, replica: 2 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -22.854327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.854327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.854327 (E_RNA) where: Base-Base interactions energy: -4.013 where: short stacking energy: -4.013 Base-Backbone interact. energy: -0.098 local terms energy: -18.743101 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -4.632 flat angles P-C4'-P energy: -3.004 tors. eta vs tors. theta energy: -2.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -27.746803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.746803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.746803 (E_RNA) where: Base-Base interactions energy: -11.227 where: short stacking energy: -11.227 Base-Backbone interact. energy: -0.000 local terms energy: -16.519008 where: bonds (distance) C4'-P energy: -2.271 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.471 flat angles P-C4'-P energy: -2.058 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: 1 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -23.249379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.249379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.249379 (E_RNA) where: Base-Base interactions energy: -5.706 where: short stacking energy: -5.706 Base-Backbone interact. energy: -0.084 local terms energy: -17.459886 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.013 flat angles P-C4'-P energy: -3.751 tors. eta vs tors. theta energy: -0.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -27.974505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.974505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.974505 (E_RNA) where: Base-Base interactions energy: -10.893 where: short stacking energy: -10.893 Base-Backbone interact. energy: -0.628 local terms energy: -16.452578 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -3.818 flat angles C4'-P-C4' energy: -4.242 flat angles P-C4'-P energy: -1.700 tors. eta vs tors. theta energy: -2.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -24.229007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.229007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.229007 (E_RNA) where: Base-Base interactions energy: -10.196 where: short stacking energy: -10.196 Base-Backbone interact. energy: -0.000 local terms energy: -14.033040 where: bonds (distance) C4'-P energy: -1.600 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.432 flat angles P-C4'-P energy: -2.899 tors. eta vs tors. theta energy: -0.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -27.635721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.635721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.635721 (E_RNA) where: Base-Base interactions energy: -10.930 where: short stacking energy: -10.930 Base-Backbone interact. energy: -0.001 local terms energy: -16.704354 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -3.786 flat angles C4'-P-C4' energy: -4.604 flat angles P-C4'-P energy: -2.122 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: 2, replica: 8 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -32.539973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.539973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.539973 (E_RNA) where: Base-Base interactions energy: -11.554 where: short stacking energy: -11.554 Base-Backbone interact. energy: -0.000 local terms energy: -20.985496 where: bonds (distance) C4'-P energy: -4.171 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -4.358 flat angles P-C4'-P energy: -3.167 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: 10 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -27.575784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.575784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.575784 (E_RNA) where: Base-Base interactions energy: -9.677 where: short stacking energy: -9.677 Base-Backbone interact. energy: -0.000 local terms energy: -17.899112 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -4.177 flat angles P-C4'-P energy: -3.569 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: 4, replica: 4 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -22.982110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.982110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.982110 (E_RNA) where: Base-Base interactions energy: -6.838 where: short stacking energy: -6.838 Base-Backbone interact. energy: -0.047 local terms energy: -16.097175 where: bonds (distance) C4'-P energy: -2.565 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -4.272 flat angles P-C4'-P energy: -3.587 tors. eta vs tors. theta energy: -1.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -23.668682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.668682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.668682 (E_RNA) where: Base-Base interactions energy: -7.140 where: short stacking energy: -7.140 Base-Backbone interact. energy: 0.042 local terms energy: -16.570891 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -3.999 flat angles P-C4'-P energy: -3.274 tors. eta vs tors. theta energy: -0.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -22.108925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.108925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.108925 (E_RNA) where: Base-Base interactions energy: -4.198 where: short stacking energy: -4.198 Base-Backbone interact. energy: -0.000 local terms energy: -17.910953 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.285 flat angles P-C4'-P energy: -4.033 tors. eta vs tors. theta energy: -1.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -21.596312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.596312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.596312 (E_RNA) where: Base-Base interactions energy: -3.957 where: short stacking energy: -3.957 Base-Backbone interact. energy: -0.154 local terms energy: -17.485391 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.589 flat angles P-C4'-P energy: -2.392 tors. eta vs tors. theta energy: -1.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -22.156663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.156663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.156663 (E_RNA) where: Base-Base interactions energy: -6.669 where: short stacking energy: -6.669 Base-Backbone interact. energy: -0.016 local terms energy: -15.472049 where: bonds (distance) C4'-P energy: -3.673 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.200 flat angles P-C4'-P energy: -3.141 tors. eta vs tors. theta energy: -0.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -21.955650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.955650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.955650 (E_RNA) where: Base-Base interactions energy: -6.764 where: short stacking energy: -6.764 Base-Backbone interact. energy: -0.001 local terms energy: -15.190640 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -0.767 flat angles P-C4'-P energy: -3.843 tors. eta vs tors. theta energy: -1.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -21.110628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.110628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.110628 (E_RNA) where: Base-Base interactions energy: -4.953 where: short stacking energy: -4.953 Base-Backbone interact. energy: -0.000 local terms energy: -16.157537 where: bonds (distance) C4'-P energy: -1.417 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.358 flat angles P-C4'-P energy: -2.265 tors. eta vs tors. theta energy: -3.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -29.373996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.373996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.373996 (E_RNA) where: Base-Base interactions energy: -11.911 where: short stacking energy: -11.911 Base-Backbone interact. energy: -0.000 local terms energy: -17.463196 where: bonds (distance) C4'-P energy: -2.804 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.273 flat angles P-C4'-P energy: -3.057 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: 2, replica: 3 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -28.519331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.519331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.519331 (E_RNA) where: Base-Base interactions energy: -11.227 where: short stacking energy: -11.227 Base-Backbone interact. energy: -0.000 local terms energy: -17.292579 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -2.736 flat angles P-C4'-P energy: -3.178 tors. eta vs tors. theta energy: -2.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -27.377255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.377255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.377255 (E_RNA) where: Base-Base interactions energy: -10.275 where: short stacking energy: -10.275 Base-Backbone interact. energy: -0.001 local terms energy: -17.101753 where: bonds (distance) C4'-P energy: -2.626 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.972 flat angles P-C4'-P energy: -3.411 tors. eta vs tors. theta energy: -2.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -23.120502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.120502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.120502 (E_RNA) where: Base-Base interactions energy: -7.481 where: short stacking energy: -7.481 Base-Backbone interact. energy: -0.000 local terms energy: -15.639832 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.456 flat angles P-C4'-P energy: -3.491 tors. eta vs tors. theta energy: 0.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -28.519285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.519285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.519285 (E_RNA) where: Base-Base interactions energy: -9.719 where: short stacking energy: -9.719 Base-Backbone interact. energy: -0.000 local terms energy: -18.800076 where: bonds (distance) C4'-P energy: -3.433 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.370 flat angles P-C4'-P energy: -2.853 tors. eta vs tors. theta energy: -4.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -22.914100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.914100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.914100 (E_RNA) where: Base-Base interactions energy: -6.075 where: short stacking energy: -6.075 Base-Backbone interact. energy: -0.000 local terms energy: -16.838785 where: bonds (distance) C4'-P energy: -3.433 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.686 flat angles P-C4'-P energy: -1.645 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: 7, replica: 7 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -27.286596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.286596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.286596 (E_RNA) where: Base-Base interactions energy: -8.352 where: short stacking energy: -8.352 Base-Backbone interact. energy: -0.000 local terms energy: -18.934931 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -3.652 flat angles C4'-P-C4' energy: -4.238 flat angles P-C4'-P energy: -3.776 tors. eta vs tors. theta energy: -2.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -24.691600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.691600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.691600 (E_RNA) where: Base-Base interactions energy: -6.949 where: short stacking energy: -6.949 Base-Backbone interact. energy: -0.611 local terms energy: -17.131209 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -3.924 flat angles P-C4'-P energy: -2.217 tors. eta vs tors. theta energy: -1.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -19.616741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.616741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.616741 (E_RNA) where: Base-Base interactions energy: -7.397 where: short stacking energy: -7.397 Base-Backbone interact. energy: -0.002 local terms energy: -12.218109 where: bonds (distance) C4'-P energy: -3.045 bonds (distance) P-C4' energy: -3.557 flat angles C4'-P-C4' energy: -2.440 flat angles P-C4'-P energy: -0.770 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: 10, replica: 1 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -20.570583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.570583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.570583 (E_RNA) where: Base-Base interactions energy: -5.635 where: short stacking energy: -5.635 Base-Backbone interact. energy: -0.006 local terms energy: -14.930206 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.417 flat angles P-C4'-P energy: -3.850 tors. eta vs tors. theta energy: 1.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -28.627658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.627658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.627658 (E_RNA) where: Base-Base interactions energy: -10.600 where: short stacking energy: -10.600 Base-Backbone interact. energy: -0.004 local terms energy: -18.023169 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.279 flat angles P-C4'-P energy: -2.788 tors. eta vs tors. theta energy: -3.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -29.904798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.904798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.904798 (E_RNA) where: Base-Base interactions energy: -11.610 where: short stacking energy: -11.610 Base-Backbone interact. energy: -0.000 local terms energy: -18.294640 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -2.773 flat angles P-C4'-P energy: -3.136 tors. eta vs tors. theta energy: -3.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -26.058042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.058042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.058042 (E_RNA) where: Base-Base interactions energy: -11.098 where: short stacking energy: -11.098 Base-Backbone interact. energy: -0.009 local terms energy: -14.951111 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -2.419 flat angles C4'-P-C4' energy: -2.891 flat angles P-C4'-P energy: -3.948 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: 4, replica: 5 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -22.756054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.756054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.756054 (E_RNA) where: Base-Base interactions energy: -7.233 where: short stacking energy: -7.233 Base-Backbone interact. energy: -0.032 local terms energy: -15.491453 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.308 flat angles P-C4'-P energy: -3.502 tors. eta vs tors. theta energy: 0.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -25.483510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.483510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.483510 (E_RNA) where: Base-Base interactions energy: -9.915 where: short stacking energy: -9.915 Base-Backbone interact. energy: -0.000 local terms energy: -15.568714 where: bonds (distance) C4'-P energy: -2.423 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -2.360 flat angles P-C4'-P energy: -2.407 tors. eta vs tors. theta energy: -3.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -23.197004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.197004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.197004 (E_RNA) where: Base-Base interactions energy: -7.306 where: short stacking energy: -7.306 Base-Backbone interact. energy: -0.000 local terms energy: -15.890596 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -3.751 flat angles C4'-P-C4' energy: -4.100 flat angles P-C4'-P energy: -3.185 tors. eta vs tors. theta energy: -1.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -23.507360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.507360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.507360 (E_RNA) where: Base-Base interactions energy: -4.812 where: short stacking energy: -4.812 Base-Backbone interact. energy: -0.000 local terms energy: -18.695447 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.419 flat angles P-C4'-P energy: -3.242 tors. eta vs tors. theta energy: -1.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -24.771578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.771578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.771578 (E_RNA) where: Base-Base interactions energy: -4.363 where: short stacking energy: -4.363 Base-Backbone interact. energy: -0.092 local terms energy: -20.316852 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.129 flat angles P-C4'-P energy: -3.423 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: 9, replica: 2 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -21.146934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.146934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.146934 (E_RNA) where: Base-Base interactions energy: -4.690 where: short stacking energy: -4.690 Base-Backbone interact. energy: -0.000 local terms energy: -16.456523 where: bonds (distance) C4'-P energy: -3.459 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.712 flat angles P-C4'-P energy: -3.617 tors. eta vs tors. theta energy: -0.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -22.748744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.748744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.748744 (E_RNA) where: Base-Base interactions energy: -7.158 where: short stacking energy: -7.158 Base-Backbone interact. energy: -0.076 local terms energy: -15.515044 where: bonds (distance) C4'-P energy: -3.939 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -2.858 flat angles P-C4'-P energy: -3.285 tors. eta vs tors. theta energy: -0.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -25.113894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.113894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.113894 (E_RNA) where: Base-Base interactions energy: -8.025 where: short stacking energy: -8.025 Base-Backbone interact. energy: -0.000 local terms energy: -17.088508 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -3.786 flat angles P-C4'-P energy: -1.472 tors. eta vs tors. theta energy: -3.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -26.622397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.622397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.622397 (E_RNA) where: Base-Base interactions energy: -9.044 where: short stacking energy: -9.044 Base-Backbone interact. energy: -0.000 local terms energy: -17.578358 where: bonds (distance) C4'-P energy: -2.634 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.873 flat angles P-C4'-P energy: -3.370 tors. eta vs tors. theta energy: -3.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -25.477569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.477569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.477569 (E_RNA) where: Base-Base interactions energy: -11.050 where: short stacking energy: -11.050 Base-Backbone interact. energy: -0.008 local terms energy: -14.419320 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -1.106 flat angles P-C4'-P energy: -2.334 tors. eta vs tors. theta energy: -1.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -24.333164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.333164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.333164 (E_RNA) where: Base-Base interactions energy: -10.503 where: short stacking energy: -10.503 Base-Backbone interact. energy: -0.001 local terms energy: -13.829729 where: bonds (distance) C4'-P energy: -2.598 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -0.324 flat angles P-C4'-P energy: -2.589 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: 7 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -24.038372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.038372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.038372 (E_RNA) where: Base-Base interactions energy: -10.313 where: short stacking energy: -10.313 Base-Backbone interact. energy: -0.001 local terms energy: -13.724233 where: bonds (distance) C4'-P energy: -2.415 bonds (distance) P-C4' energy: -3.892 flat angles C4'-P-C4' energy: -2.985 flat angles P-C4'-P energy: -2.788 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: 6, replica: 10 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -21.952251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.952251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.952251 (E_RNA) where: Base-Base interactions energy: -4.197 where: short stacking energy: -4.197 Base-Backbone interact. energy: -0.001 local terms energy: -17.753886 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.112 flat angles P-C4'-P energy: -2.873 tors. eta vs tors. theta energy: -1.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -24.729388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.729388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.729388 (E_RNA) where: Base-Base interactions energy: -6.175 where: short stacking energy: -6.175 Base-Backbone interact. energy: -0.010 local terms energy: -18.544965 where: bonds (distance) C4'-P energy: -3.389 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.962 flat angles P-C4'-P energy: -2.796 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: 8, replica: 6 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -18.401199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.401199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.401199 (E_RNA) where: Base-Base interactions energy: -4.159 where: short stacking energy: -4.159 Base-Backbone interact. energy: -0.000 local terms energy: -14.241965 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -1.774 flat angles P-C4'-P energy: -1.360 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: 9, replica: 1 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -25.593635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.593635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.593635 (E_RNA) where: Base-Base interactions energy: -9.951 where: short stacking energy: -9.951 Base-Backbone interact. energy: -0.000 local terms energy: -15.642335 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -3.364 flat angles P-C4'-P energy: -1.297 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: 10, replica: 2 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -21.560578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.560578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.560578 (E_RNA) where: Base-Base interactions energy: -6.196 where: short stacking energy: -6.196 Base-Backbone interact. energy: -0.000 local terms energy: -15.364167 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.181 flat angles P-C4'-P energy: -1.464 tors. eta vs tors. theta energy: -1.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -27.827410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.827410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.827410 (E_RNA) where: Base-Base interactions energy: -9.850 where: short stacking energy: -9.850 Base-Backbone interact. energy: -0.847 local terms energy: -17.130545 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.279 flat angles P-C4'-P energy: -3.254 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: 2, replica: 3 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -29.473271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.473271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.473271 (E_RNA) where: Base-Base interactions energy: -11.961 where: short stacking energy: -11.961 Base-Backbone interact. energy: -0.012 local terms energy: -17.500522 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.462 flat angles P-C4'-P energy: -2.045 tors. eta vs tors. theta energy: -3.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -28.395399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.395399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.395399 (E_RNA) where: Base-Base interactions energy: -12.066 where: short stacking energy: -12.066 Base-Backbone interact. energy: -0.000 local terms energy: -16.329102 where: bonds (distance) C4'-P energy: -3.442 bonds (distance) P-C4' energy: -4.395 flat angles C4'-P-C4' energy: -3.582 flat angles P-C4'-P energy: -2.788 tors. eta vs tors. theta energy: -2.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -32.117996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.117996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.117996 (E_RNA) where: Base-Base interactions energy: -10.907 where: short stacking energy: -10.907 Base-Backbone interact. energy: -0.000 local terms energy: -21.211276 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.150 flat angles P-C4'-P energy: -3.682 tors. eta vs tors. theta energy: -4.636 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: 5 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -26.986208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.986208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.986208 (E_RNA) where: Base-Base interactions energy: -11.718 where: short stacking energy: -11.718 Base-Backbone interact. energy: -0.000 local terms energy: -15.268493 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -1.472 flat angles C4'-P-C4' energy: -4.697 flat angles P-C4'-P energy: -2.374 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: 6, replica: 9 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -25.843441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.843441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.843441 (E_RNA) where: Base-Base interactions energy: -7.262 where: short stacking energy: -7.262 Base-Backbone interact. energy: -0.000 local terms energy: -18.581874 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -4.049 flat angles P-C4'-P energy: -3.319 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: 7, replica: 10 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -21.007213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.007213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.007213 (E_RNA) where: Base-Base interactions energy: -4.096 where: short stacking energy: -4.096 Base-Backbone interact. energy: -0.000 local terms energy: -16.910838 where: bonds (distance) C4'-P energy: -2.738 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.570 flat angles P-C4'-P energy: -3.957 tors. eta vs tors. theta energy: -0.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -23.062697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.062697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.062697 (E_RNA) where: Base-Base interactions energy: -6.569 where: short stacking energy: -6.569 Base-Backbone interact. energy: -0.005 local terms energy: -16.489134 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -3.345 flat angles C4'-P-C4' energy: -3.144 flat angles P-C4'-P energy: -3.243 tors. eta vs tors. theta energy: -2.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -22.252262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.252262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.252262 (E_RNA) where: Base-Base interactions energy: -5.755 where: short stacking energy: -5.755 Base-Backbone interact. energy: -0.006 local terms energy: -16.491221 where: bonds (distance) C4'-P energy: -3.939 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -2.855 flat angles P-C4'-P energy: -2.056 tors. eta vs tors. theta energy: -2.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -21.642786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.642786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.642786 (E_RNA) where: Base-Base interactions energy: -6.644 where: short stacking energy: -6.644 Base-Backbone interact. energy: -0.000 local terms energy: -14.998299 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -3.297 flat angles C4'-P-C4' energy: -2.517 flat angles P-C4'-P energy: -2.313 tors. eta vs tors. theta energy: -2.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -27.621452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.621452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.621452 (E_RNA) where: Base-Base interactions energy: -7.049 where: short stacking energy: -7.049 Base-Backbone interact. energy: -0.000 local terms energy: -20.572412 where: bonds (distance) C4'-P energy: -3.091 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.398 flat angles P-C4'-P energy: -3.921 tors. eta vs tors. theta energy: -4.499 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: 4 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -27.816819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.816819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.816819 (E_RNA) where: Base-Base interactions energy: -8.354 where: short stacking energy: -8.354 Base-Backbone interact. energy: -0.001 local terms energy: -19.462115 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -2.367 flat angles P-C4'-P energy: -2.523 tors. eta vs tors. theta energy: -4.823 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: 7 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -31.686836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.686836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.686836 (E_RNA) where: Base-Base interactions energy: -10.978 where: short stacking energy: -10.978 Base-Backbone interact. energy: -0.000 local terms energy: -20.708349 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.224 flat angles P-C4'-P energy: -3.070 tors. eta vs tors. theta energy: -4.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -25.758634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.758634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.758634 (E_RNA) where: Base-Base interactions energy: -7.969 where: short stacking energy: -7.969 Base-Backbone interact. energy: -0.000 local terms energy: -17.789861 where: bonds (distance) C4'-P energy: -3.194 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.262 flat angles P-C4'-P energy: -3.892 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: 5, replica: 9 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -23.851898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.851898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.851898 (E_RNA) where: Base-Base interactions energy: -6.575 where: short stacking energy: -6.575 Base-Backbone interact. energy: -0.000 local terms energy: -17.276681 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -2.916 flat angles P-C4'-P energy: -3.085 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: 6, replica: 5 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -22.997421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.997421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.997421 (E_RNA) where: Base-Base interactions energy: -7.578 where: short stacking energy: -7.578 Base-Backbone interact. energy: -0.000 local terms energy: -15.419387 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.805 flat angles P-C4'-P energy: 0.598 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: 7, replica: 1 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -21.456944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.456944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.456944 (E_RNA) where: Base-Base interactions energy: -6.513 where: short stacking energy: -6.513 Base-Backbone interact. energy: -0.000 local terms energy: -14.944281 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -2.756 flat angles P-C4'-P energy: -3.016 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: 8, replica: 10 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -23.825628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.825628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.825628 (E_RNA) where: Base-Base interactions energy: -8.424 where: short stacking energy: -8.424 Base-Backbone interact. energy: -0.000 local terms energy: -15.401248 where: bonds (distance) C4'-P energy: -3.264 bonds (distance) P-C4' energy: -4.839 flat angles C4'-P-C4' energy: -3.011 flat angles P-C4'-P energy: -3.037 tors. eta vs tors. theta energy: -1.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -20.828081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.828081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.828081 (E_RNA) where: Base-Base interactions energy: -5.520 where: short stacking energy: -5.520 Base-Backbone interact. energy: -0.000 local terms energy: -15.307770 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -1.828 flat angles P-C4'-P energy: -2.640 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: 10, replica: 6 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -19.504999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.504999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.504999 (E_RNA) where: Base-Base interactions energy: -2.122 where: short stacking energy: -2.122 Base-Backbone interact. energy: -0.000 local terms energy: -17.382341 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -4.411 flat angles P-C4'-P energy: -3.452 tors. eta vs tors. theta energy: -0.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -28.107975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.107975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.107975 (E_RNA) where: Base-Base interactions energy: -10.888 where: short stacking energy: -10.888 Base-Backbone interact. energy: -0.000 local terms energy: -17.219725 where: bonds (distance) C4'-P energy: -1.198 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.794 flat angles P-C4'-P energy: -3.106 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: 2, replica: 7 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -30.262062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.262062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.262062 (E_RNA) where: Base-Base interactions energy: -11.415 where: short stacking energy: -11.415 Base-Backbone interact. energy: -0.009 local terms energy: -18.837408 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.464 flat angles P-C4'-P energy: -3.425 tors. eta vs tors. theta energy: -1.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -23.347379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.347379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.347379 (E_RNA) where: Base-Base interactions energy: -7.151 where: short stacking energy: -7.151 Base-Backbone interact. energy: -0.000 local terms energy: -16.196093 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.152 flat angles P-C4'-P energy: -1.794 tors. eta vs tors. theta energy: -0.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -27.455861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.455861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.455861 (E_RNA) where: Base-Base interactions energy: -7.595 where: short stacking energy: -7.595 Base-Backbone interact. energy: -0.000 local terms energy: -19.861103 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.401 flat angles P-C4'-P energy: -3.090 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: 5, replica: 8 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -21.219821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.219821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.219821 (E_RNA) where: Base-Base interactions energy: -3.964 where: short stacking energy: -3.964 Base-Backbone interact. energy: -0.086 local terms energy: -17.169500 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -4.365 flat angles P-C4'-P energy: -2.002 tors. eta vs tors. theta energy: -2.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -22.965337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.965337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.965337 (E_RNA) where: Base-Base interactions energy: -8.128 where: short stacking energy: -8.128 Base-Backbone interact. energy: -0.101 local terms energy: -14.735909 where: bonds (distance) C4'-P energy: -3.044 bonds (distance) P-C4' energy: -4.395 flat angles C4'-P-C4' energy: -3.679 flat angles P-C4'-P energy: -2.801 tors. eta vs tors. theta energy: -0.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -24.230172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.230172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.230172 (E_RNA) where: Base-Base interactions energy: -7.226 where: short stacking energy: -7.226 Base-Backbone interact. energy: -0.002 local terms energy: -17.002672 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -3.796 flat angles P-C4'-P energy: -2.857 tors. eta vs tors. theta energy: -1.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -22.062091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.062091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.062091 (E_RNA) where: Base-Base interactions energy: -4.327 where: short stacking energy: -4.553 Base-Backbone interact. energy: -0.000 local terms energy: -17.735452 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -3.687 flat angles C4'-P-C4' energy: -4.413 flat angles P-C4'-P energy: -3.824 tors. eta vs tors. theta energy: -1.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -17.583857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.583857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.583857 (E_RNA) where: Base-Base interactions energy: -2.849 where: short stacking energy: -2.849 Base-Backbone interact. energy: -0.000 local terms energy: -14.735041 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -1.333 flat angles C4'-P-C4' energy: -3.228 flat angles P-C4'-P energy: -3.357 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: 10, replica: 6 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -21.077179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.077179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.077179 (E_RNA) where: Base-Base interactions energy: -6.882 where: short stacking energy: -6.882 Base-Backbone interact. energy: -0.000 local terms energy: -14.195448 where: bonds (distance) C4'-P energy: -0.283 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -2.713 flat angles P-C4'-P energy: -3.445 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: 1, replica: 7 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -23.026325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.026325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.026325 (E_RNA) where: Base-Base interactions energy: -7.436 where: short stacking energy: -7.436 Base-Backbone interact. energy: -0.000 local terms energy: -15.590658 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.152 flat angles C4'-P-C4' energy: -3.312 flat angles P-C4'-P energy: -1.471 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: 2, replica: 3 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -29.003146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.003146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.003146 (E_RNA) where: Base-Base interactions energy: -9.859 where: short stacking energy: -9.859 Base-Backbone interact. energy: -0.000 local terms energy: -19.144018 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -2.627 flat angles P-C4'-P energy: -3.474 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: 3, replica: 9 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -26.129256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.129256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.129256 (E_RNA) where: Base-Base interactions energy: -7.047 where: short stacking energy: -7.047 Base-Backbone interact. energy: -0.000 local terms energy: -19.082512 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.339 flat angles C4'-P-C4' energy: -4.281 flat angles P-C4'-P energy: -3.249 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: 4, replica: 4 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -26.634883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.634883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.634883 (E_RNA) where: Base-Base interactions energy: -9.379 where: short stacking energy: -9.379 Base-Backbone interact. energy: -0.010 local terms energy: -17.246144 where: bonds (distance) C4'-P energy: -2.448 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -2.823 flat angles P-C4'-P energy: -4.061 tors. eta vs tors. theta energy: -2.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -24.650882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.650882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.650882 (E_RNA) where: Base-Base interactions energy: -8.591 where: short stacking energy: -8.628 Base-Backbone interact. energy: -0.069 local terms energy: -15.990480 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.244 flat angles P-C4'-P energy: -2.406 tors. eta vs tors. theta energy: -1.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -25.790307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.790307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.790307 (E_RNA) where: Base-Base interactions energy: -9.991 where: short stacking energy: -9.991 Base-Backbone interact. energy: -0.000 local terms energy: -15.799513 where: bonds (distance) C4'-P energy: -3.185 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -4.030 flat angles P-C4'-P energy: -1.831 tors. eta vs tors. theta energy: -2.551 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: 7, replica: 2 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -21.434894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.434894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.434894 (E_RNA) where: Base-Base interactions energy: -7.454 where: short stacking energy: -7.454 Base-Backbone interact. energy: -0.000 local terms energy: -13.980657 where: bonds (distance) C4'-P energy: -3.277 bonds (distance) P-C4' energy: -3.518 flat angles C4'-P-C4' energy: -3.289 flat angles P-C4'-P energy: -3.192 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: 8, replica: 5 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -21.874918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.874918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.874918 (E_RNA) where: Base-Base interactions energy: -5.553 where: short stacking energy: -4.493 Base-Backbone interact. energy: -0.000 local terms energy: -16.321950 where: bonds (distance) C4'-P energy: -3.326 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.661 flat angles P-C4'-P energy: -1.825 tors. eta vs tors. theta energy: -2.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -20.742822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.742822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.742822 (E_RNA) where: Base-Base interactions energy: -3.965 where: short stacking energy: -3.965 Base-Backbone interact. energy: -0.000 local terms energy: -16.778056 where: bonds (distance) C4'-P energy: -2.014 bonds (distance) P-C4' energy: -3.944 flat angles C4'-P-C4' energy: -4.403 flat angles P-C4'-P energy: -3.559 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: 10, replica: 10 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -23.110669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.110669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.110669 (E_RNA) where: Base-Base interactions energy: -3.913 where: short stacking energy: -4.004 Base-Backbone interact. energy: -0.001 local terms energy: -19.196584 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.609 flat angles P-C4'-P energy: -3.644 tors. eta vs tors. theta energy: -1.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -28.523173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.523173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.523173 (E_RNA) where: Base-Base interactions energy: -11.129 where: short stacking energy: -11.129 Base-Backbone interact. energy: -0.001 local terms energy: -17.392810 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -1.595 flat angles P-C4'-P energy: -3.606 tors. eta vs tors. theta energy: -2.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -27.188155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.188155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.188155 (E_RNA) where: Base-Base interactions energy: -10.463 where: short stacking energy: -10.463 Base-Backbone interact. energy: -0.000 local terms energy: -16.724848 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.239 flat angles P-C4'-P energy: -2.673 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: 3, replica: 3 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -25.681938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.681938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.681938 (E_RNA) where: Base-Base interactions energy: -7.524 where: short stacking energy: -7.524 Base-Backbone interact. energy: -0.000 local terms energy: -18.158245 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -2.938 flat angles P-C4'-P energy: -1.975 tors. eta vs tors. theta energy: -3.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -25.569914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.569914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.569914 (E_RNA) where: Base-Base interactions energy: -9.238 where: short stacking energy: -9.238 Base-Backbone interact. energy: -0.005 local terms energy: -16.326896 where: bonds (distance) C4'-P energy: -3.301 bonds (distance) P-C4' energy: -4.082 flat angles C4'-P-C4' energy: -4.395 flat angles P-C4'-P energy: -3.075 tors. eta vs tors. theta energy: -1.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -21.588259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.588259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.588259 (E_RNA) where: Base-Base interactions energy: -6.085 where: short stacking energy: -6.085 Base-Backbone interact. energy: -0.061 local terms energy: -15.442365 where: bonds (distance) C4'-P energy: -3.861 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.100 flat angles P-C4'-P energy: -1.849 tors. eta vs tors. theta energy: -0.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -21.768122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.768122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.768122 (E_RNA) where: Base-Base interactions energy: -8.252 where: short stacking energy: -8.252 Base-Backbone interact. energy: -0.002 local terms energy: -13.514748 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -1.903 flat angles P-C4'-P energy: -0.903 tors. eta vs tors. theta energy: -1.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -18.863828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.863828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.863828 (E_RNA) where: Base-Base interactions energy: -3.343 where: short stacking energy: -3.431 Base-Backbone interact. energy: -0.052 local terms energy: -15.468986 where: bonds (distance) C4'-P energy: -3.008 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.716 flat angles P-C4'-P energy: -3.546 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: 8, replica: 6 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -24.694632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.694632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.694632 (E_RNA) where: Base-Base interactions energy: -7.982 where: short stacking energy: -7.982 Base-Backbone interact. energy: -0.000 local terms energy: -16.712957 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.158 flat angles P-C4'-P energy: -0.920 tors. eta vs tors. theta energy: -4.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -23.195112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.195112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.195112 (E_RNA) where: Base-Base interactions energy: -7.537 where: short stacking energy: -7.537 Base-Backbone interact. energy: -0.096 local terms energy: -15.562483 where: bonds (distance) C4'-P energy: -3.673 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.193 flat angles P-C4'-P energy: -3.573 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: 317 Temperature: 1.350000 Total energy: -18.644319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.644319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.644319 (E_RNA) where: Base-Base interactions energy: -2.103 where: short stacking energy: -2.103 Base-Backbone interact. energy: -0.067 local terms energy: -16.474809 where: bonds (distance) C4'-P energy: -3.281 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.459 flat angles P-C4'-P energy: -2.610 tors. eta vs tors. theta energy: -1.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -26.762420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.762420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.762420 (E_RNA) where: Base-Base interactions energy: -7.857 where: short stacking energy: -7.857 Base-Backbone interact. energy: -0.000 local terms energy: -18.905527 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.432 flat angles P-C4'-P energy: -3.568 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: 2, replica: 7 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -27.344302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.344302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.344302 (E_RNA) where: Base-Base interactions energy: -8.396 where: short stacking energy: -8.396 Base-Backbone interact. energy: 0.202 local terms energy: -19.150112 where: bonds (distance) C4'-P energy: -3.036 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.805 flat angles P-C4'-P energy: -2.599 tors. eta vs tors. theta energy: -4.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -27.543264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.543264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.543264 (E_RNA) where: Base-Base interactions energy: -8.681 where: short stacking energy: -8.681 Base-Backbone interact. energy: 0.336 local terms energy: -19.197800 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.415 flat angles P-C4'-P energy: -3.037 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: 3 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -29.962345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.962345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.962345 (E_RNA) where: Base-Base interactions energy: -9.404 where: short stacking energy: -9.404 Base-Backbone interact. energy: -0.000 local terms energy: -20.558373 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.572 flat angles C4'-P-C4' energy: -4.396 flat angles P-C4'-P energy: -3.523 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: 5, replica: 2 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -26.532521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.532521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.532521 (E_RNA) where: Base-Base interactions energy: -9.121 where: short stacking energy: -9.121 Base-Backbone interact. energy: -0.001 local terms energy: -17.410883 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -4.343 flat angles C4'-P-C4' energy: -2.805 flat angles P-C4'-P energy: -2.313 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: 6, replica: 4 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -22.320117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.320117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.320117 (E_RNA) where: Base-Base interactions energy: -5.971 where: short stacking energy: -5.971 Base-Backbone interact. energy: -0.000 local terms energy: -16.348921 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -4.577 flat angles P-C4'-P energy: -1.878 tors. eta vs tors. theta energy: -2.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -22.721690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.721690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.721690 (E_RNA) where: Base-Base interactions energy: -8.014 where: short stacking energy: -8.014 Base-Backbone interact. energy: -0.027 local terms energy: -14.680858 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -3.790 flat angles C4'-P-C4' energy: -3.416 flat angles P-C4'-P energy: -3.376 tors. eta vs tors. theta energy: -0.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -24.094868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.094868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.094868 (E_RNA) where: Base-Base interactions energy: -5.377 where: short stacking energy: -5.377 Base-Backbone interact. energy: -0.001 local terms energy: -18.716990 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.303 flat angles P-C4'-P energy: -2.405 tors. eta vs tors. theta energy: -4.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -19.724733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.724733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.724733 (E_RNA) where: Base-Base interactions energy: -7.518 where: short stacking energy: -7.518 Base-Backbone interact. energy: -0.000 local terms energy: -12.206561 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -3.329 flat angles C4'-P-C4' energy: 1.182 flat angles P-C4'-P energy: -3.418 tors. eta vs tors. theta energy: -2.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -25.284508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.284508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.284508 (E_RNA) where: Base-Base interactions energy: -8.943 where: short stacking energy: -8.943 Base-Backbone interact. energy: -0.000 local terms energy: -16.341436 where: bonds (distance) C4'-P energy: -2.076 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.270 flat angles P-C4'-P energy: -0.762 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: 1, replica: 9 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -28.758299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.758299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.758299 (E_RNA) where: Base-Base interactions energy: -10.859 where: short stacking energy: -10.859 Base-Backbone interact. energy: -0.001 local terms energy: -17.898575 where: bonds (distance) C4'-P energy: -2.279 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.559 flat angles P-C4'-P energy: -2.737 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: 2, replica: 1 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -25.573984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.573984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.573984 (E_RNA) where: Base-Base interactions energy: -10.037 where: short stacking energy: -10.037 Base-Backbone interact. energy: -0.000 local terms energy: -15.537366 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.370 flat angles C4'-P-C4' energy: -3.061 flat angles P-C4'-P energy: -0.941 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: 3, replica: 7 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -24.404408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.404408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.404408 (E_RNA) where: Base-Base interactions energy: -7.898 where: short stacking energy: -7.898 Base-Backbone interact. energy: -0.010 local terms energy: -16.496470 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.173 flat angles P-C4'-P energy: -3.537 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: 4, replica: 2 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -24.758184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.758184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.758184 (E_RNA) where: Base-Base interactions energy: -9.751 where: short stacking energy: -9.751 Base-Backbone interact. energy: -0.015 local terms energy: -14.992165 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -3.264 flat angles P-C4'-P energy: -2.099 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: 5, replica: 3 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -24.169271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.169271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.169271 (E_RNA) where: Base-Base interactions energy: -6.281 where: short stacking energy: -6.281 Base-Backbone interact. energy: -0.098 local terms energy: -17.790212 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.116 flat angles P-C4'-P energy: -3.729 tors. eta vs tors. theta energy: -1.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -24.758341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.758341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.758341 (E_RNA) where: Base-Base interactions energy: -6.179 where: short stacking energy: -6.179 Base-Backbone interact. energy: -0.037 local terms energy: -18.543018 where: bonds (distance) C4'-P energy: -4.125 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.083 flat angles P-C4'-P energy: -2.814 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: 7, replica: 4 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -25.958982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.958982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.958982 (E_RNA) where: Base-Base interactions energy: -5.945 where: short stacking energy: -5.945 Base-Backbone interact. energy: -0.000 local terms energy: -20.013728 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -4.207 flat angles P-C4'-P energy: -3.514 tors. eta vs tors. theta energy: -3.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -23.147593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.147593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.147593 (E_RNA) where: Base-Base interactions energy: -6.469 where: short stacking energy: -6.469 Base-Backbone interact. energy: -0.017 local terms energy: -16.661416 where: bonds (distance) C4'-P energy: -2.146 bonds (distance) P-C4' energy: -4.572 flat angles C4'-P-C4' energy: -3.735 flat angles P-C4'-P energy: -2.439 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: 9, replica: 6 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -19.571399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.571399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.571399 (E_RNA) where: Base-Base interactions energy: -4.608 where: short stacking energy: -4.608 Base-Backbone interact. energy: -0.010 local terms energy: -14.953863 where: bonds (distance) C4'-P energy: -3.433 bonds (distance) P-C4' energy: -2.637 flat angles C4'-P-C4' energy: -3.130 flat angles P-C4'-P energy: -3.374 tors. eta vs tors. theta energy: -2.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -19.822559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.822559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.822559 (E_RNA) where: Base-Base interactions energy: -4.176 where: short stacking energy: -4.176 Base-Backbone interact. energy: -0.001 local terms energy: -15.645581 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.585 flat angles P-C4'-P energy: -1.791 tors. eta vs tors. theta energy: -0.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -29.854882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.854882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.854882 (E_RNA) where: Base-Base interactions energy: -10.045 where: short stacking energy: -10.045 Base-Backbone interact. energy: -0.000 local terms energy: -19.810187 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.098 flat angles P-C4'-P energy: -1.830 tors. eta vs tors. theta energy: -4.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -26.095910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.095910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.095910 (E_RNA) where: Base-Base interactions energy: -6.956 where: short stacking energy: -6.956 Base-Backbone interact. energy: -0.001 local terms energy: -19.138919 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.668 flat angles P-C4'-P energy: -3.850 tors. eta vs tors. theta energy: -2.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -25.685808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.685808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.685808 (E_RNA) where: Base-Base interactions energy: -6.082 where: short stacking energy: -6.111 Base-Backbone interact. energy: -0.000 local terms energy: -19.604137 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.897 flat angles P-C4'-P energy: -2.771 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: 4, replica: 7 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -26.047462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.047462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.047462 (E_RNA) where: Base-Base interactions energy: -7.359 where: short stacking energy: -7.359 Base-Backbone interact. energy: -0.080 local terms energy: -18.608648 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.180 flat angles C4'-P-C4' energy: -3.004 flat angles P-C4'-P energy: -3.502 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: 8 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -21.495856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.495856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.495856 (E_RNA) where: Base-Base interactions energy: -4.519 where: short stacking energy: -4.580 Base-Backbone interact. energy: -0.003 local terms energy: -16.974171 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.186 flat angles P-C4'-P energy: -1.710 tors. eta vs tors. theta energy: -1.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -20.602456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.602456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.602456 (E_RNA) where: Base-Base interactions energy: -7.052 where: short stacking energy: -7.052 Base-Backbone interact. energy: -0.125 local terms energy: -13.425622 where: bonds (distance) C4'-P energy: -2.564 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -3.444 flat angles P-C4'-P energy: -4.047 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: 7, replica: 10 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -24.186876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.186876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.186876 (E_RNA) where: Base-Base interactions energy: -7.674 where: short stacking energy: -7.674 Base-Backbone interact. energy: -0.002 local terms energy: -16.510624 where: bonds (distance) C4'-P energy: -2.680 bonds (distance) P-C4' energy: -4.417 flat angles C4'-P-C4' energy: -4.008 flat angles P-C4'-P energy: -2.489 tors. eta vs tors. theta energy: -2.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -23.760734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.760734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.760734 (E_RNA) where: Base-Base interactions energy: -9.808 where: short stacking energy: -9.808 Base-Backbone interact. energy: -0.000 local terms energy: -13.952797 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.001 flat angles P-C4'-P energy: 1.219 tors. eta vs tors. theta energy: -3.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -21.414171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.414171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.414171 (E_RNA) where: Base-Base interactions energy: -7.369 where: short stacking energy: -7.369 Base-Backbone interact. energy: -0.000 local terms energy: -14.045394 where: bonds (distance) C4'-P energy: -3.008 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -2.334 flat angles P-C4'-P energy: -2.974 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: 6 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -24.564576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.564576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.564576 (E_RNA) where: Base-Base interactions energy: -8.081 where: short stacking energy: -8.081 Base-Backbone interact. energy: -0.000 local terms energy: -16.483710 where: bonds (distance) C4'-P energy: -2.672 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.062 flat angles P-C4'-P energy: -2.786 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: 321 Temperature: 0.900000 Total energy: -27.717596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.717596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.717596 (E_RNA) where: Base-Base interactions energy: -7.031 where: short stacking energy: -7.031 Base-Backbone interact. energy: -0.000 local terms energy: -20.686478 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.188 flat angles P-C4'-P energy: -3.643 tors. eta vs tors. theta energy: -3.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -26.739486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.739486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.739486 (E_RNA) where: Base-Base interactions energy: -7.594 where: short stacking energy: -7.594 Base-Backbone interact. energy: -0.092 local terms energy: -19.052812 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.240 flat angles P-C4'-P energy: -2.809 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: 3, replica: 9 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -25.847245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.847245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.847245 (E_RNA) where: Base-Base interactions energy: -8.990 where: short stacking energy: -8.990 Base-Backbone interact. energy: -0.001 local terms energy: -16.855949 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -3.398 flat angles C4'-P-C4' energy: -4.751 flat angles P-C4'-P energy: -1.939 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: 8 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -24.935231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.935231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.935231 (E_RNA) where: Base-Base interactions energy: -9.436 where: short stacking energy: -9.436 Base-Backbone interact. energy: -0.000 local terms energy: -15.498922 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -3.799 flat angles P-C4'-P energy: -1.812 tors. eta vs tors. theta energy: -0.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -25.925752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.925752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.925752 (E_RNA) where: Base-Base interactions energy: -7.788 where: short stacking energy: -7.788 Base-Backbone interact. energy: -0.001 local terms energy: -18.137455 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.027 flat angles P-C4'-P energy: -3.807 tors. eta vs tors. theta energy: -2.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -23.184579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.184579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.184579 (E_RNA) where: Base-Base interactions energy: -7.031 where: short stacking energy: -7.031 Base-Backbone interact. energy: -0.000 local terms energy: -16.153942 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -2.300 flat angles P-C4'-P energy: -3.947 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: 7, replica: 3 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -25.345548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.345548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.345548 (E_RNA) where: Base-Base interactions energy: -9.113 where: short stacking energy: -9.113 Base-Backbone interact. energy: -0.000 local terms energy: -16.232671 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -2.514 flat angles C4'-P-C4' energy: -4.016 flat angles P-C4'-P energy: -3.758 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: 8, replica: 5 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -23.104424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.104424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.104424 (E_RNA) where: Base-Base interactions energy: -4.376 where: short stacking energy: -4.376 Base-Backbone interact. energy: 0.135 local terms energy: -18.862904 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.764 flat angles P-C4'-P energy: -2.737 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: 9, replica: 4 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -23.101899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.101899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.101899 (E_RNA) where: Base-Base interactions energy: -5.892 where: short stacking energy: -5.892 Base-Backbone interact. energy: -0.000 local terms energy: -17.209464 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -2.814 flat angles P-C4'-P energy: -2.817 tors. eta vs tors. theta energy: -2.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -20.878088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.878088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.878088 (E_RNA) where: Base-Base interactions energy: -7.325 where: short stacking energy: -7.325 Base-Backbone interact. energy: -0.001 local terms energy: -13.552459 where: bonds (distance) C4'-P energy: -1.090 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -2.905 flat angles P-C4'-P energy: -3.129 tors. eta vs tors. theta energy: -1.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -27.188554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.188554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.188554 (E_RNA) where: Base-Base interactions energy: -7.969 where: short stacking energy: -7.969 Base-Backbone interact. energy: -0.000 local terms energy: -19.219419 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -3.845 flat angles P-C4'-P energy: -2.724 tors. eta vs tors. theta energy: -3.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -25.757427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.757427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.757427 (E_RNA) where: Base-Base interactions energy: -8.678 where: short stacking energy: -8.678 Base-Backbone interact. energy: -0.000 local terms energy: -17.078980 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.432 flat angles P-C4'-P energy: -3.192 tors. eta vs tors. theta energy: -0.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -23.748981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.748981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.748981 (E_RNA) where: Base-Base interactions energy: -7.209 where: short stacking energy: -7.209 Base-Backbone interact. energy: -0.000 local terms energy: -16.539569 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.144 flat angles P-C4'-P energy: -2.590 tors. eta vs tors. theta energy: -1.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -25.202677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.202677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.202677 (E_RNA) where: Base-Base interactions energy: -8.252 where: short stacking energy: -8.252 Base-Backbone interact. energy: -0.070 local terms energy: -16.880904 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -3.981 flat angles C4'-P-C4' energy: -3.111 flat angles P-C4'-P energy: -2.893 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: 5, replica: 10 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -23.136780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.136780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.136780 (E_RNA) where: Base-Base interactions energy: -6.460 where: short stacking energy: -6.460 Base-Backbone interact. energy: -0.000 local terms energy: -16.677063 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.578 flat angles C4'-P-C4' energy: -3.919 flat angles P-C4'-P energy: -3.094 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: 6, replica: 7 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -21.925415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.925415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.925415 (E_RNA) where: Base-Base interactions energy: -3.968 where: short stacking energy: -3.968 Base-Backbone interact. energy: -0.000 local terms energy: -17.957064 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.799 flat angles P-C4'-P energy: -3.150 tors. eta vs tors. theta energy: -1.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -21.633460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.633460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.633460 (E_RNA) where: Base-Base interactions energy: -4.321 where: short stacking energy: -4.321 Base-Backbone interact. energy: -0.000 local terms energy: -17.312921 where: bonds (distance) C4'-P energy: -3.566 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.989 flat angles P-C4'-P energy: -2.446 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: 8, replica: 3 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -20.012344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.012344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.012344 (E_RNA) where: Base-Base interactions energy: -4.107 where: short stacking energy: -4.107 Base-Backbone interact. energy: -0.000 local terms energy: -15.905586 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.417 flat angles C4'-P-C4' energy: -2.357 flat angles P-C4'-P energy: -3.243 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: 6 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -20.789269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.789269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.789269 (E_RNA) where: Base-Base interactions energy: -5.039 where: short stacking energy: -5.039 Base-Backbone interact. energy: -0.000 local terms energy: -15.750634 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -2.174 flat angles P-C4'-P energy: -2.400 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: 10, replica: 4 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -21.911372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.911372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.911372 (E_RNA) where: Base-Base interactions energy: -5.179 where: short stacking energy: -5.179 Base-Backbone interact. energy: -0.000 local terms energy: -16.732708 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.057 flat angles P-C4'-P energy: -2.240 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: 1, replica: 2 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -25.228200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.228200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.228200 (E_RNA) where: Base-Base interactions energy: -9.508 where: short stacking energy: -9.508 Base-Backbone interact. energy: -0.000 local terms energy: -15.720213 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -3.818 flat angles C4'-P-C4' energy: -3.139 flat angles P-C4'-P energy: -2.006 tors. eta vs tors. theta energy: -2.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -28.499892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.499892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.499892 (E_RNA) where: Base-Base interactions energy: -9.710 where: short stacking energy: -9.710 Base-Backbone interact. energy: -0.000 local terms energy: -18.789715 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.870 flat angles P-C4'-P energy: -3.529 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: 3, replica: 8 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -29.302168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.302168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.302168 (E_RNA) where: Base-Base interactions energy: -11.093 where: short stacking energy: -11.093 Base-Backbone interact. energy: -0.000 local terms energy: -18.209239 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -3.889 flat angles C4'-P-C4' energy: -4.894 flat angles P-C4'-P energy: -1.157 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: 4, replica: 9 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -23.250406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.250406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.250406 (E_RNA) where: Base-Base interactions energy: -5.745 where: short stacking energy: -5.745 Base-Backbone interact. energy: -0.049 local terms energy: -17.456184 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.578 flat angles C4'-P-C4' energy: -4.667 flat angles P-C4'-P energy: -2.629 tors. eta vs tors. theta energy: -1.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -23.246959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.246959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.246959 (E_RNA) where: Base-Base interactions energy: -6.770 where: short stacking energy: -6.770 Base-Backbone interact. energy: -0.008 local terms energy: -16.468352 where: bonds (distance) C4'-P energy: -3.036 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.394 flat angles P-C4'-P energy: -2.994 tors. eta vs tors. theta energy: -1.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -21.491545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.491545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.491545 (E_RNA) where: Base-Base interactions energy: -6.166 where: short stacking energy: -6.166 Base-Backbone interact. energy: -0.008 local terms energy: -15.317832 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.336 flat angles C4'-P-C4' energy: -1.307 flat angles P-C4'-P energy: -3.966 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: 7, replica: 7 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -28.904509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.904509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.904509 (E_RNA) where: Base-Base interactions energy: -10.976 where: short stacking energy: -10.976 Base-Backbone interact. energy: -0.048 local terms energy: -17.881040 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.373 flat angles P-C4'-P energy: -3.788 tors. eta vs tors. theta energy: -1.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -24.392346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.392346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.392346 (E_RNA) where: Base-Base interactions energy: -6.908 where: short stacking energy: -6.908 Base-Backbone interact. energy: -0.053 local terms energy: -17.431282 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.137 flat angles P-C4'-P energy: -2.268 tors. eta vs tors. theta energy: -2.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -19.019825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.019825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.019825 (E_RNA) where: Base-Base interactions energy: -3.489 where: short stacking energy: -3.489 Base-Backbone interact. energy: -0.006 local terms energy: -15.524091 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.199 flat angles P-C4'-P energy: -1.700 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: 4 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -22.009320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.009320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.009320 (E_RNA) where: Base-Base interactions energy: -7.594 where: short stacking energy: -7.594 Base-Backbone interact. energy: -0.000 local terms energy: -14.415178 where: bonds (distance) C4'-P energy: -3.708 bonds (distance) P-C4' energy: -3.969 flat angles C4'-P-C4' energy: -3.946 flat angles P-C4'-P energy: -0.196 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: 1, replica: 1 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -26.525830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.525830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.525830 (E_RNA) where: Base-Base interactions energy: -6.499 where: short stacking energy: -6.499 Base-Backbone interact. energy: -0.000 local terms energy: -20.026362 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.659 flat angles P-C4'-P energy: -2.047 tors. eta vs tors. theta energy: -3.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -24.234357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.234357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.234357 (E_RNA) where: Base-Base interactions energy: -7.059 where: short stacking energy: -7.059 Base-Backbone interact. energy: -0.048 local terms energy: -17.127896 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.290 flat angles P-C4'-P energy: -1.846 tors. eta vs tors. theta energy: -1.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -27.236414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.236414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.236414 (E_RNA) where: Base-Base interactions energy: -7.670 where: short stacking energy: -7.670 Base-Backbone interact. energy: -0.000 local terms energy: -19.566311 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.726 flat angles P-C4'-P energy: -3.204 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: 4, replica: 9 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -26.931013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.931013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.931013 (E_RNA) where: Base-Base interactions energy: -7.631 where: short stacking energy: -7.631 Base-Backbone interact. energy: -0.000 local terms energy: -19.299627 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.578 flat angles C4'-P-C4' energy: -4.451 flat angles P-C4'-P energy: -2.535 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: 5, replica: 5 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -24.439016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.439016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.439016 (E_RNA) where: Base-Base interactions energy: -9.096 where: short stacking energy: -9.096 Base-Backbone interact. energy: -0.003 local terms energy: -15.340464 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -3.079 flat angles C4'-P-C4' energy: -4.642 flat angles P-C4'-P energy: -1.339 tors. eta vs tors. theta energy: -1.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -21.632025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.632025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.632025 (E_RNA) where: Base-Base interactions energy: -6.669 where: short stacking energy: -6.669 Base-Backbone interact. energy: -0.000 local terms energy: -14.963280 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -3.288 flat angles P-C4'-P energy: -1.984 tors. eta vs tors. theta energy: -0.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -23.256369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.256369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.256369 (E_RNA) where: Base-Base interactions energy: -6.450 where: short stacking energy: -6.450 Base-Backbone interact. energy: -0.000 local terms energy: -16.806576 where: bonds (distance) C4'-P energy: -3.322 bonds (distance) P-C4' energy: -3.984 flat angles C4'-P-C4' energy: -4.434 flat angles P-C4'-P energy: -0.896 tors. eta vs tors. theta energy: -4.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -24.273731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.273731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.273731 (E_RNA) where: Base-Base interactions energy: -7.650 where: short stacking energy: -7.650 Base-Backbone interact. energy: -0.000 local terms energy: -16.623364 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -3.188 flat angles P-C4'-P energy: -3.070 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: 9, replica: 4 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -20.271456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.271456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.271456 (E_RNA) where: Base-Base interactions energy: -7.322 where: short stacking energy: -7.322 Base-Backbone interact. energy: -0.000 local terms energy: -12.949477 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -2.292 flat angles C4'-P-C4' energy: -3.564 flat angles P-C4'-P energy: -2.816 tors. eta vs tors. theta energy: 0.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -21.386073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.386073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.386073 (E_RNA) where: Base-Base interactions energy: -4.647 where: short stacking energy: -4.647 Base-Backbone interact. energy: -0.000 local terms energy: -16.739170 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -3.726 flat angles C4'-P-C4' energy: -4.292 flat angles P-C4'-P energy: -3.455 tors. eta vs tors. theta energy: -1.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -25.764569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.764569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.764569 (E_RNA) where: Base-Base interactions energy: -10.574 where: short stacking energy: -10.574 Base-Backbone interact. energy: -0.037 local terms energy: -15.153599 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -3.539 flat angles P-C4'-P energy: -3.185 tors. eta vs tors. theta energy: -0.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -25.479481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.479481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.479481 (E_RNA) where: Base-Base interactions energy: -6.906 where: short stacking energy: -6.906 Base-Backbone interact. energy: -0.000 local terms energy: -18.573545 where: bonds (distance) C4'-P energy: -3.442 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.712 flat angles P-C4'-P energy: -4.071 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: 3, replica: 2 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -28.069769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.069769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.069769 (E_RNA) where: Base-Base interactions energy: -10.560 where: short stacking energy: -10.560 Base-Backbone interact. energy: -0.002 local terms energy: -17.508023 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.169 flat angles P-C4'-P energy: -3.306 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: 4, replica: 5 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -25.838317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.838317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.838317 (E_RNA) where: Base-Base interactions energy: -9.042 where: short stacking energy: -9.042 Base-Backbone interact. energy: -0.000 local terms energy: -16.795825 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -2.796 flat angles P-C4'-P energy: -2.570 tors. eta vs tors. theta energy: -2.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -21.526207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.526207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.526207 (E_RNA) where: Base-Base interactions energy: -5.125 where: short stacking energy: -5.125 Base-Backbone interact. energy: -0.053 local terms energy: -16.347932 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -4.417 flat angles P-C4'-P energy: -3.124 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: 6, replica: 6 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -25.293919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.293919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.293919 (E_RNA) where: Base-Base interactions energy: -9.834 where: short stacking energy: -9.834 Base-Backbone interact. energy: -0.000 local terms energy: -15.460010 where: bonds (distance) C4'-P energy: -2.946 bonds (distance) P-C4' energy: -3.134 flat angles C4'-P-C4' energy: -3.158 flat angles P-C4'-P energy: -2.277 tors. eta vs tors. theta energy: -3.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -20.996781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.996781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.996781 (E_RNA) where: Base-Base interactions energy: -6.984 where: short stacking energy: -6.984 Base-Backbone interact. energy: -0.001 local terms energy: -14.011611 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -3.582 flat angles C4'-P-C4' energy: -3.483 flat angles P-C4'-P energy: -2.838 tors. eta vs tors. theta energy: -0.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -20.968505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.968505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.968505 (E_RNA) where: Base-Base interactions energy: -6.475 where: short stacking energy: -6.475 Base-Backbone interact. energy: -0.000 local terms energy: -14.493290 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -4.153 flat angles P-C4'-P energy: -2.139 tors. eta vs tors. theta energy: -0.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -22.297841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.297841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.297841 (E_RNA) where: Base-Base interactions energy: -7.975 where: short stacking energy: -7.975 Base-Backbone interact. energy: -0.003 local terms energy: -14.319006 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -3.984 flat angles C4'-P-C4' energy: -1.316 flat angles P-C4'-P energy: -3.542 tors. eta vs tors. theta energy: -0.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -19.097203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.097203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.097203 (E_RNA) where: Base-Base interactions energy: -3.353 where: short stacking energy: -3.353 Base-Backbone interact. energy: -0.000 local terms energy: -15.744184 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.303 flat angles P-C4'-P energy: -2.739 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: 1, replica: 8 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -25.172747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.172747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.172747 (E_RNA) where: Base-Base interactions energy: -8.700 where: short stacking energy: -8.700 Base-Backbone interact. energy: -0.000 local terms energy: -16.472935 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -3.606 flat angles P-C4'-P energy: -2.578 tors. eta vs tors. theta energy: -1.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -30.456795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.456795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.456795 (E_RNA) where: Base-Base interactions energy: -11.398 where: short stacking energy: -11.398 Base-Backbone interact. energy: -0.000 local terms energy: -19.059233 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.607 flat angles P-C4'-P energy: -2.955 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: 5 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -23.074884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.074884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.074884 (E_RNA) where: Base-Base interactions energy: -6.388 where: short stacking energy: -6.388 Base-Backbone interact. energy: -0.000 local terms energy: -16.686642 where: bonds (distance) C4'-P energy: -2.900 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.538 flat angles P-C4'-P energy: -3.678 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: 4, replica: 2 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -28.204412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.204412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.204412 (E_RNA) where: Base-Base interactions energy: -10.450 where: short stacking energy: -10.450 Base-Backbone interact. energy: -0.000 local terms energy: -17.754628 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -2.828 flat angles P-C4'-P energy: -2.246 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: 6 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -23.086179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.086179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.086179 (E_RNA) where: Base-Base interactions energy: -8.136 where: short stacking energy: -8.136 Base-Backbone interact. energy: -0.000 local terms energy: -14.950427 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.274 flat angles P-C4'-P energy: 1.317 tors. eta vs tors. theta energy: -2.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -28.590101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.590101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.590101 (E_RNA) where: Base-Base interactions energy: -11.674 where: short stacking energy: -11.674 Base-Backbone interact. energy: -0.000 local terms energy: -16.916501 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -2.025 flat angles C4'-P-C4' energy: -4.629 flat angles P-C4'-P energy: -3.450 tors. eta vs tors. theta energy: -2.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -23.953767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.953767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.953767 (E_RNA) where: Base-Base interactions energy: -9.648 where: short stacking energy: -9.648 Base-Backbone interact. energy: -0.006 local terms energy: -14.299798 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -2.867 flat angles C4'-P-C4' energy: -3.213 flat angles P-C4'-P energy: -3.758 tors. eta vs tors. theta energy: -0.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -27.776387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.776387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.776387 (E_RNA) where: Base-Base interactions energy: -10.400 where: short stacking energy: -10.400 Base-Backbone interact. energy: -0.000 local terms energy: -17.376123 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -3.371 flat angles C4'-P-C4' energy: -4.222 flat angles P-C4'-P energy: -1.911 tors. eta vs tors. theta energy: -3.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -21.536477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.536477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.536477 (E_RNA) where: Base-Base interactions energy: -7.333 where: short stacking energy: -7.333 Base-Backbone interact. energy: -0.095 local terms energy: -14.107923 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -3.815 flat angles C4'-P-C4' energy: -3.156 flat angles P-C4'-P energy: -2.222 tors. eta vs tors. theta energy: -1.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -24.394311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.394311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.394311 (E_RNA) where: Base-Base interactions energy: -9.892 where: short stacking energy: -9.892 Base-Backbone interact. energy: -0.073 local terms energy: -14.429603 where: bonds (distance) C4'-P energy: -2.913 bonds (distance) P-C4' energy: -3.106 flat angles C4'-P-C4' energy: -4.188 flat angles P-C4'-P energy: -1.774 tors. eta vs tors. theta energy: -2.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -26.258346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.258346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.258346 (E_RNA) where: Base-Base interactions energy: -6.798 where: short stacking energy: -6.798 Base-Backbone interact. energy: -0.000 local terms energy: -19.460207 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.816 flat angles P-C4'-P energy: -3.302 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: 2, replica: 5 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -26.547335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.547335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.547335 (E_RNA) where: Base-Base interactions energy: -9.555 where: short stacking energy: -9.555 Base-Backbone interact. energy: 0.534 local terms energy: -17.526446 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -4.610 flat angles C4'-P-C4' energy: -2.911 flat angles P-C4'-P energy: -3.423 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: 3, replica: 1 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -27.838355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.838355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.838355 (E_RNA) where: Base-Base interactions energy: -9.878 where: short stacking energy: -9.878 Base-Backbone interact. energy: -0.000 local terms energy: -17.960827 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.815 flat angles C4'-P-C4' energy: -3.871 flat angles P-C4'-P energy: -2.760 tors. eta vs tors. theta energy: -3.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -26.931348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.931348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.931348 (E_RNA) where: Base-Base interactions energy: -7.551 where: short stacking energy: -7.551 Base-Backbone interact. energy: -0.000 local terms energy: -19.380709 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.016 flat angles P-C4'-P energy: -2.739 tors. eta vs tors. theta energy: -3.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -23.612910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.612910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.612910 (E_RNA) where: Base-Base interactions energy: -6.943 where: short stacking energy: -6.943 Base-Backbone interact. energy: -0.001 local terms energy: -16.669349 where: bonds (distance) C4'-P energy: -2.867 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.288 flat angles P-C4'-P energy: -1.765 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: 6, replica: 4 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -22.737332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.737332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.737332 (E_RNA) where: Base-Base interactions energy: -2.860 where: short stacking energy: -2.860 Base-Backbone interact. energy: -0.000 local terms energy: -19.877247 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.662 flat angles P-C4'-P energy: -3.363 tors. eta vs tors. theta energy: -2.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -21.870024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.870024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.870024 (E_RNA) where: Base-Base interactions energy: -7.924 where: short stacking energy: -7.924 Base-Backbone interact. energy: -0.009 local terms energy: -13.937042 where: bonds (distance) C4'-P energy: -3.322 bonds (distance) P-C4' energy: -3.892 flat angles C4'-P-C4' energy: -4.275 flat angles P-C4'-P energy: -1.034 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: 8, replica: 3 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -21.330306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.330306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.330306 (E_RNA) where: Base-Base interactions energy: -6.126 where: short stacking energy: -6.126 Base-Backbone interact. energy: -0.000 local terms energy: -15.203920 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -3.131 flat angles C4'-P-C4' energy: -2.161 flat angles P-C4'-P energy: -3.363 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: 9, replica: 10 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -19.499149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.499149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.499149 (E_RNA) where: Base-Base interactions energy: -3.676 where: short stacking energy: -3.676 Base-Backbone interact. energy: -0.001 local terms energy: -15.821555 where: bonds (distance) C4'-P energy: -1.136 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.648 flat angles P-C4'-P energy: -3.004 tors. eta vs tors. theta energy: -1.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -22.464947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.464947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.464947 (E_RNA) where: Base-Base interactions energy: -5.693 where: short stacking energy: -5.693 Base-Backbone interact. energy: -0.002 local terms energy: -16.770208 where: bonds (distance) C4'-P energy: -3.344 bonds (distance) P-C4' energy: -3.811 flat angles C4'-P-C4' energy: -4.333 flat angles P-C4'-P energy: -3.653 tors. eta vs tors. theta energy: -1.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -30.117977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.117977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.117977 (E_RNA) where: Base-Base interactions energy: -11.475 where: short stacking energy: -11.480 Base-Backbone interact. energy: -0.000 local terms energy: -18.642961 where: bonds (distance) C4'-P energy: -3.947 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -1.527 flat angles P-C4'-P energy: -4.139 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: 8 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -32.115000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.115000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.115000 (E_RNA) where: Base-Base interactions energy: -10.740 where: short stacking energy: -10.740 Base-Backbone interact. energy: -0.000 local terms energy: -21.374838 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.438 flat angles P-C4'-P energy: -3.946 tors. eta vs tors. theta energy: -4.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -23.152819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.152819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.152819 (E_RNA) where: Base-Base interactions energy: -4.627 where: short stacking energy: -4.627 Base-Backbone interact. energy: -0.003 local terms energy: -18.522441 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.014 flat angles P-C4'-P energy: -3.414 tors. eta vs tors. theta energy: -3.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -24.360892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.360892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.360892 (E_RNA) where: Base-Base interactions energy: -7.425 where: short stacking energy: -7.425 Base-Backbone interact. energy: -0.002 local terms energy: -16.933677 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -4.854 flat angles P-C4'-P energy: -2.894 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: 6 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -23.810135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.810135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.810135 (E_RNA) where: Base-Base interactions energy: -7.482 where: short stacking energy: -7.482 Base-Backbone interact. energy: -0.011 local terms energy: -16.317297 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -3.481 flat angles P-C4'-P energy: -2.781 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: 6, replica: 4 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -23.339230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.339230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.339230 (E_RNA) where: Base-Base interactions energy: -7.148 where: short stacking energy: -7.148 Base-Backbone interact. energy: -0.000 local terms energy: -16.190753 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -3.981 flat angles C4'-P-C4' energy: -2.656 flat angles P-C4'-P energy: -3.555 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: 3 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -24.116450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.116450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.116450 (E_RNA) where: Base-Base interactions energy: -6.968 where: short stacking energy: -6.968 Base-Backbone interact. energy: -0.002 local terms energy: -17.146984 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.201 flat angles P-C4'-P energy: -3.567 tors. eta vs tors. theta energy: -0.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -22.423903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.423903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.423903 (E_RNA) where: Base-Base interactions energy: -7.367 where: short stacking energy: -7.367 Base-Backbone interact. energy: -0.000 local terms energy: -15.057061 where: bonds (distance) C4'-P energy: -2.743 bonds (distance) P-C4' energy: -3.036 flat angles C4'-P-C4' energy: -4.165 flat angles P-C4'-P energy: -2.823 tors. eta vs tors. theta energy: -2.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -18.869141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.869141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.869141 (E_RNA) where: Base-Base interactions energy: -5.265 where: short stacking energy: -5.265 Base-Backbone interact. energy: -0.000 local terms energy: -13.604166 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -3.889 flat angles C4'-P-C4' energy: -2.729 flat angles P-C4'-P energy: -3.037 tors. eta vs tors. theta energy: 0.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -24.225335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.225335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.225335 (E_RNA) where: Base-Base interactions energy: -5.364 where: short stacking energy: -5.364 Base-Backbone interact. energy: -0.047 local terms energy: -18.813934 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -2.333 flat angles P-C4'-P energy: -3.661 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: 1, replica: 5 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -26.103176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.103176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.103176 (E_RNA) where: Base-Base interactions energy: -8.553 where: short stacking energy: -8.553 Base-Backbone interact. energy: -0.000 local terms energy: -17.550392 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.034 flat angles P-C4'-P energy: -1.702 tors. eta vs tors. theta energy: -2.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -26.136423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.136423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.136423 (E_RNA) where: Base-Base interactions energy: -8.241 where: short stacking energy: -8.241 Base-Backbone interact. energy: -0.000 local terms energy: -17.895815 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.420 flat angles P-C4'-P energy: -3.976 tors. eta vs tors. theta energy: -1.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -28.490496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.490496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.490496 (E_RNA) where: Base-Base interactions energy: -12.473 where: short stacking energy: -12.473 Base-Backbone interact. energy: -0.002 local terms energy: -16.015896 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -4.731 flat angles P-C4'-P energy: -1.425 tors. eta vs tors. theta energy: -1.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -24.704412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.704412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.704412 (E_RNA) where: Base-Base interactions energy: -6.661 where: short stacking energy: -6.661 Base-Backbone interact. energy: -0.000 local terms energy: -18.043015 where: bonds (distance) C4'-P energy: -2.556 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.269 flat angles P-C4'-P energy: -2.738 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: 5, replica: 6 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -22.399319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.399319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.399319 (E_RNA) where: Base-Base interactions energy: -3.605 where: short stacking energy: -3.605 Base-Backbone interact. energy: -0.000 local terms energy: -18.794081 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.767 flat angles P-C4'-P energy: -2.685 tors. eta vs tors. theta energy: -2.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -21.273011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.273011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.273011 (E_RNA) where: Base-Base interactions energy: -3.341 where: short stacking energy: -3.341 Base-Backbone interact. energy: -0.007 local terms energy: -17.924306 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.252 flat angles P-C4'-P energy: -3.300 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: 7, replica: 4 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -24.593010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.593010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.593010 (E_RNA) where: Base-Base interactions energy: -7.396 where: short stacking energy: -7.396 Base-Backbone interact. energy: -0.000 local terms energy: -17.196603 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -3.052 flat angles P-C4'-P energy: -3.319 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: 8, replica: 7 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -22.533238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.533238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.533238 (E_RNA) where: Base-Base interactions energy: -5.196 where: short stacking energy: -5.196 Base-Backbone interact. energy: -0.610 local terms energy: -16.727688 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.387 flat angles P-C4'-P energy: -3.175 tors. eta vs tors. theta energy: -1.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -23.661275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.661275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.661275 (E_RNA) where: Base-Base interactions energy: -7.793 where: short stacking energy: -7.793 Base-Backbone interact. energy: -0.005 local terms energy: -15.863459 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -2.873 flat angles C4'-P-C4' energy: -3.856 flat angles P-C4'-P energy: -3.704 tors. eta vs tors. theta energy: -1.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -19.921591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.921591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.921591 (E_RNA) where: Base-Base interactions energy: -4.022 where: short stacking energy: -4.022 Base-Backbone interact. energy: -0.008 local terms energy: -15.890948 where: bonds (distance) C4'-P energy: -3.335 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.731 flat angles P-C4'-P energy: -2.252 tors. eta vs tors. theta energy: -0.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -28.521675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.521675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.521675 (E_RNA) where: Base-Base interactions energy: -9.389 where: short stacking energy: -9.389 Base-Backbone interact. energy: -0.000 local terms energy: -19.132916 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.260 flat angles P-C4'-P energy: -2.067 tors. eta vs tors. theta energy: -3.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -29.463041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.463041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.463041 (E_RNA) where: Base-Base interactions energy: -11.241 where: short stacking energy: -11.241 Base-Backbone interact. energy: -0.000 local terms energy: -18.221621 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -2.615 flat angles C4'-P-C4' energy: -4.875 flat angles P-C4'-P energy: -2.978 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: 3, replica: 8 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -26.748413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.748413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.748413 (E_RNA) where: Base-Base interactions energy: -7.960 where: short stacking energy: -7.960 Base-Backbone interact. energy: -0.000 local terms energy: -18.788260 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.245 flat angles P-C4'-P energy: -3.854 tors. eta vs tors. theta energy: -1.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -24.648182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.648182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.648182 (E_RNA) where: Base-Base interactions energy: -6.897 where: short stacking energy: -6.897 Base-Backbone interact. energy: -0.005 local terms energy: -17.746184 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.414 flat angles P-C4'-P energy: -1.654 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: 5, replica: 3 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -22.104736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.104736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.104736 (E_RNA) where: Base-Base interactions energy: -4.808 where: short stacking energy: -4.808 Base-Backbone interact. energy: -0.000 local terms energy: -17.296292 where: bonds (distance) C4'-P energy: -2.387 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.537 flat angles P-C4'-P energy: -2.055 tors. eta vs tors. theta energy: -4.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -29.516376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.516376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.516376 (E_RNA) where: Base-Base interactions energy: -9.376 where: short stacking energy: -9.376 Base-Backbone interact. energy: -0.000 local terms energy: -20.140324 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -3.811 flat angles C4'-P-C4' energy: -3.963 flat angles P-C4'-P energy: -3.276 tors. eta vs tors. theta energy: -4.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -21.024005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.024005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.024005 (E_RNA) where: Base-Base interactions energy: -7.619 where: short stacking energy: -7.619 Base-Backbone interact. energy: -0.020 local terms energy: -13.385794 where: bonds (distance) C4'-P energy: -3.152 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.749 flat angles P-C4'-P energy: -1.508 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: 4 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -25.496105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.496105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.496105 (E_RNA) where: Base-Base interactions energy: -8.522 where: short stacking energy: -8.522 Base-Backbone interact. energy: -0.001 local terms energy: -16.973305 where: bonds (distance) C4'-P energy: -1.695 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.364 flat angles P-C4'-P energy: -3.066 tors. eta vs tors. theta energy: -2.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -22.258601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.258601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.258601 (E_RNA) where: Base-Base interactions energy: -6.012 where: short stacking energy: -6.012 Base-Backbone interact. energy: -0.000 local terms energy: -16.246208 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -3.811 flat angles C4'-P-C4' energy: -3.679 flat angles P-C4'-P energy: -1.686 tors. eta vs tors. theta energy: -2.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -23.279669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.279669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.279669 (E_RNA) where: Base-Base interactions energy: -4.760 where: short stacking energy: -4.760 Base-Backbone interact. energy: -0.001 local terms energy: -18.518776 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.534 flat angles P-C4'-P energy: -2.701 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: 2 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -24.004758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.004758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.004758 (E_RNA) where: Base-Base interactions energy: -7.402 where: short stacking energy: -7.402 Base-Backbone interact. energy: -0.000 local terms energy: -16.602444 where: bonds (distance) C4'-P energy: -3.861 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.243 flat angles P-C4'-P energy: -3.115 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: 2, replica: 8 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -23.567396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.567396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.567396 (E_RNA) where: Base-Base interactions energy: -8.249 where: short stacking energy: -8.249 Base-Backbone interact. energy: -0.000 local terms energy: -15.318737 where: bonds (distance) C4'-P energy: -3.654 bonds (distance) P-C4' energy: -3.287 flat angles C4'-P-C4' energy: -4.394 flat angles P-C4'-P energy: -3.637 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: 5 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -26.799090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.799090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.799090 (E_RNA) where: Base-Base interactions energy: -7.714 where: short stacking energy: -7.714 Base-Backbone interact. energy: -0.000 local terms energy: -19.084779 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -3.989 flat angles P-C4'-P energy: -3.788 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: 4, replica: 3 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -24.316925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.316925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.316925 (E_RNA) where: Base-Base interactions energy: -6.536 where: short stacking energy: -6.536 Base-Backbone interact. energy: -0.000 local terms energy: -17.780542 where: bonds (distance) C4'-P energy: -2.573 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -4.540 flat angles P-C4'-P energy: -3.383 tors. eta vs tors. theta energy: -3.086 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: 1 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -22.995822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.995822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.995822 (E_RNA) where: Base-Base interactions energy: -4.729 where: short stacking energy: -4.729 Base-Backbone interact. energy: -0.000 local terms energy: -18.266440 where: bonds (distance) C4'-P energy: -3.277 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -4.295 flat angles P-C4'-P energy: -3.899 tors. eta vs tors. theta energy: -2.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -22.145657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.145657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.145657 (E_RNA) where: Base-Base interactions energy: -4.500 where: short stacking energy: -4.500 Base-Backbone interact. energy: -0.000 local terms energy: -17.645498 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -2.634 flat angles P-C4'-P energy: -1.994 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: 7, replica: 6 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -22.001748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.001748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.001748 (E_RNA) where: Base-Base interactions energy: -6.687 where: short stacking energy: -6.687 Base-Backbone interact. energy: -0.000 local terms energy: -15.314660 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -2.842 flat angles C4'-P-C4' energy: -3.570 flat angles P-C4'-P energy: -1.520 tors. eta vs tors. theta energy: -3.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -24.348248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.348248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.348248 (E_RNA) where: Base-Base interactions energy: -4.204 where: short stacking energy: -4.204 Base-Backbone interact. energy: -0.000 local terms energy: -20.143938 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -4.395 flat angles P-C4'-P energy: -2.676 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: 9, replica: 4 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -24.419146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.419146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.419146 (E_RNA) where: Base-Base interactions energy: -6.258 where: short stacking energy: -6.258 Base-Backbone interact. energy: -0.000 local terms energy: -18.160700 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -3.984 flat angles C4'-P-C4' energy: -4.627 flat angles P-C4'-P energy: -2.190 tors. eta vs tors. theta energy: -2.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -23.449658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.449658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.449658 (E_RNA) where: Base-Base interactions energy: -7.189 where: short stacking energy: -7.189 Base-Backbone interact. energy: -0.069 local terms energy: -16.191250 where: bonds (distance) C4'-P energy: -2.672 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.835 flat angles P-C4'-P energy: -3.509 tors. eta vs tors. theta energy: -0.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -29.587288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.587288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.587288 (E_RNA) where: Base-Base interactions energy: -11.680 where: short stacking energy: -11.680 Base-Backbone interact. energy: 0.351 local terms energy: -18.258647 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -4.339 flat angles C4'-P-C4' energy: -4.276 flat angles P-C4'-P energy: -3.241 tors. eta vs tors. theta energy: -2.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -30.863362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.863362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.863362 (E_RNA) where: Base-Base interactions energy: -11.427 where: short stacking energy: -11.427 Base-Backbone interact. energy: -0.000 local terms energy: -19.436627 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -3.345 flat angles C4'-P-C4' energy: -4.129 flat angles P-C4'-P energy: -2.991 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: 3 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -28.027822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.027822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.027822 (E_RNA) where: Base-Base interactions energy: -11.351 where: short stacking energy: -11.351 Base-Backbone interact. energy: -0.075 local terms energy: -16.602040 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.636 flat angles P-C4'-P energy: -3.326 tors. eta vs tors. theta energy: -0.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -23.183769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.183769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.183769 (E_RNA) where: Base-Base interactions energy: -6.153 where: short stacking energy: -6.153 Base-Backbone interact. energy: -0.000 local terms energy: -17.031245 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.666 flat angles P-C4'-P energy: -1.938 tors. eta vs tors. theta energy: -1.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -23.029313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.029313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.029313 (E_RNA) where: Base-Base interactions energy: -7.390 where: short stacking energy: -7.390 Base-Backbone interact. energy: -0.068 local terms energy: -15.571639 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -3.627 flat angles P-C4'-P energy: -3.355 tors. eta vs tors. theta energy: -0.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -25.445213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.445213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.445213 (E_RNA) where: Base-Base interactions energy: -9.974 where: short stacking energy: -9.974 Base-Backbone interact. energy: -0.016 local terms energy: -15.455167 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -2.213 flat angles P-C4'-P energy: -2.640 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: 7, replica: 10 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -20.050602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.050602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.050602 (E_RNA) where: Base-Base interactions energy: -6.212 where: short stacking energy: -6.212 Base-Backbone interact. energy: -0.003 local terms energy: -13.835548 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.395 flat angles C4'-P-C4' energy: -4.104 flat angles P-C4'-P energy: 0.122 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: 8, replica: 6 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -27.412839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.412839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.412839 (E_RNA) where: Base-Base interactions energy: -7.342 where: short stacking energy: -7.342 Base-Backbone interact. energy: -0.164 local terms energy: -19.907252 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.176 flat angles P-C4'-P energy: -3.104 tors. eta vs tors. theta energy: -3.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -21.013995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.013995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.013995 (E_RNA) where: Base-Base interactions energy: -3.630 where: short stacking energy: -3.630 Base-Backbone interact. energy: -0.036 local terms energy: -17.348155 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.275 flat angles P-C4'-P energy: -2.481 tors. eta vs tors. theta energy: -1.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -21.596051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.596051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.596051 (E_RNA) where: Base-Base interactions energy: -6.711 where: short stacking energy: -6.711 Base-Backbone interact. energy: -0.009 local terms energy: -14.875093 where: bonds (distance) C4'-P energy: -1.960 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.253 flat angles P-C4'-P energy: -3.076 tors. eta vs tors. theta energy: -1.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -27.950771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.950771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.950771 (E_RNA) where: Base-Base interactions energy: -12.328 where: short stacking energy: -12.328 Base-Backbone interact. energy: -0.000 local terms energy: -15.622812 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -4.051 flat angles C4'-P-C4' energy: -3.658 flat angles P-C4'-P energy: -1.957 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: 2, replica: 3 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -25.354682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.354682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.354682 (E_RNA) where: Base-Base interactions energy: -7.933 where: short stacking energy: -7.933 Base-Backbone interact. energy: -0.000 local terms energy: -17.421576 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.156 flat angles C4'-P-C4' energy: -3.661 flat angles P-C4'-P energy: -3.299 tors. eta vs tors. theta energy: -2.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -27.721486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.721486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.721486 (E_RNA) where: Base-Base interactions energy: -8.367 where: short stacking energy: -8.367 Base-Backbone interact. energy: -0.000 local terms energy: -19.354191 where: bonds (distance) C4'-P energy: -3.042 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.694 flat angles P-C4'-P energy: -3.862 tors. eta vs tors. theta energy: -3.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -24.727474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.727474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.727474 (E_RNA) where: Base-Base interactions energy: -7.536 where: short stacking energy: -7.536 Base-Backbone interact. energy: -0.000 local terms energy: -17.191514 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.544 flat angles P-C4'-P energy: -2.710 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: 5, replica: 7 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -23.382960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.382960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.382960 (E_RNA) where: Base-Base interactions energy: -8.145 where: short stacking energy: -8.145 Base-Backbone interact. energy: -0.043 local terms energy: -15.194391 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.692 flat angles P-C4'-P energy: -3.100 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: 6, replica: 10 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -21.445462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.445462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.445462 (E_RNA) where: Base-Base interactions energy: -6.511 where: short stacking energy: -6.511 Base-Backbone interact. energy: -0.000 local terms energy: -14.934679 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.133 flat angles P-C4'-P energy: -1.847 tors. eta vs tors. theta energy: -1.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -22.159598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.159598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.159598 (E_RNA) where: Base-Base interactions energy: -4.816 where: short stacking energy: -4.816 Base-Backbone interact. energy: -0.000 local terms energy: -17.343704 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.110 flat angles P-C4'-P energy: -2.086 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: 9 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -23.152390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.152390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.152390 (E_RNA) where: Base-Base interactions energy: -9.289 where: short stacking energy: -9.289 Base-Backbone interact. energy: -0.000 local terms energy: -13.862905 where: bonds (distance) C4'-P energy: -1.944 bonds (distance) P-C4' energy: -3.100 flat angles C4'-P-C4' energy: -2.196 flat angles P-C4'-P energy: -2.108 tors. eta vs tors. theta energy: -4.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -21.715533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.715533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.715533 (E_RNA) where: Base-Base interactions energy: -6.050 where: short stacking energy: -6.050 Base-Backbone interact. energy: -0.000 local terms energy: -15.665254 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -3.751 flat angles C4'-P-C4' energy: -4.255 flat angles P-C4'-P energy: -2.442 tors. eta vs tors. theta energy: -0.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -20.215547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.215547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.215547 (E_RNA) where: Base-Base interactions energy: -6.896 where: short stacking energy: -6.896 Base-Backbone interact. energy: -0.000 local terms energy: -13.319425 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -3.708 flat angles C4'-P-C4' energy: -2.000 flat angles P-C4'-P energy: -2.630 tors. eta vs tors. theta energy: -1.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -27.664746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.664746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.664746 (E_RNA) where: Base-Base interactions energy: -9.739 where: short stacking energy: -9.739 Base-Backbone interact. energy: -0.032 local terms energy: -17.894026 where: bonds (distance) C4'-P energy: -3.897 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -3.647 flat angles P-C4'-P energy: -3.203 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: 2, replica: 8 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -28.667326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.667326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.667326 (E_RNA) where: Base-Base interactions energy: -11.610 where: short stacking energy: -11.610 Base-Backbone interact. energy: -0.025 local terms energy: -17.031672 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -3.563 flat angles P-C4'-P energy: -2.631 tors. eta vs tors. theta energy: -1.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -24.829889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.829889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.829889 (E_RNA) where: Base-Base interactions energy: -7.309 where: short stacking energy: -7.309 Base-Backbone interact. energy: -0.016 local terms energy: -17.505535 where: bonds (distance) C4'-P energy: -2.423 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.237 flat angles P-C4'-P energy: -2.936 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: 4, replica: 2 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -24.998616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.998616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.998616 (E_RNA) where: Base-Base interactions energy: -10.049 where: short stacking energy: -10.049 Base-Backbone interact. energy: -0.000 local terms energy: -14.949583 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -3.659 flat angles C4'-P-C4' energy: -1.821 flat angles P-C4'-P energy: -1.754 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: 10 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -22.340376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.340376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.340376 (E_RNA) where: Base-Base interactions energy: -3.777 where: short stacking energy: -3.777 Base-Backbone interact. energy: -0.004 local terms energy: -18.559422 where: bonds (distance) C4'-P energy: -3.317 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.540 flat angles P-C4'-P energy: -3.458 tors. eta vs tors. theta energy: -2.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -21.613919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.613919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.613919 (E_RNA) where: Base-Base interactions energy: -3.371 where: short stacking energy: -3.371 Base-Backbone interact. energy: -0.099 local terms energy: -18.143717 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -3.709 flat angles P-C4'-P energy: -3.936 tors. eta vs tors. theta energy: -1.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -21.465155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.465155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.465155 (E_RNA) where: Base-Base interactions energy: -5.902 where: short stacking energy: -5.902 Base-Backbone interact. energy: -0.048 local terms energy: -15.514974 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -3.786 flat angles C4'-P-C4' energy: -4.578 flat angles P-C4'-P energy: -1.859 tors. eta vs tors. theta energy: -1.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -21.598203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.598203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.598203 (E_RNA) where: Base-Base interactions energy: -3.699 where: short stacking energy: -3.699 Base-Backbone interact. energy: -0.000 local terms energy: -17.899365 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.360 flat angles P-C4'-P energy: -2.604 tors. eta vs tors. theta energy: -2.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -19.012914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.012914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.012914 (E_RNA) where: Base-Base interactions energy: -2.551 where: short stacking energy: -2.551 Base-Backbone interact. energy: -0.026 local terms energy: -16.436613 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.221 flat angles P-C4'-P energy: -2.955 tors. eta vs tors. theta energy: -1.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -22.210479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.210479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.210479 (E_RNA) where: Base-Base interactions energy: -5.046 where: short stacking energy: -5.046 Base-Backbone interact. energy: -0.000 local terms energy: -17.164446 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -3.972 flat angles P-C4'-P energy: -2.937 tors. eta vs tors. theta energy: -1.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -27.447111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.447111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.447111 (E_RNA) where: Base-Base interactions energy: -7.560 where: short stacking energy: -7.560 Base-Backbone interact. energy: -0.002 local terms energy: -19.885058 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -4.471 flat angles P-C4'-P energy: -3.788 tors. eta vs tors. theta energy: -2.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -27.347684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.347684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.347684 (E_RNA) where: Base-Base interactions energy: -7.841 where: short stacking energy: -7.841 Base-Backbone interact. energy: -0.000 local terms energy: -19.506523 where: bonds (distance) C4'-P energy: -4.233 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.255 flat angles P-C4'-P energy: -2.868 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: 8 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -27.538621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.538621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.538621 (E_RNA) where: Base-Base interactions energy: -7.574 where: short stacking energy: -7.574 Base-Backbone interact. energy: -0.000 local terms energy: -19.964512 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.025 flat angles P-C4'-P energy: -3.385 tors. eta vs tors. theta energy: -3.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -22.281788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.281788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.281788 (E_RNA) where: Base-Base interactions energy: -4.340 where: short stacking energy: -4.340 Base-Backbone interact. energy: -0.000 local terms energy: -17.941591 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.068 flat angles P-C4'-P energy: -3.616 tors. eta vs tors. theta energy: -0.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -24.575757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.575757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.575757 (E_RNA) where: Base-Base interactions energy: -8.293 where: short stacking energy: -8.293 Base-Backbone interact. energy: -0.003 local terms energy: -16.279669 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.314 flat angles C4'-P-C4' energy: -3.152 flat angles P-C4'-P energy: -3.558 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: 6, replica: 9 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -25.281099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.281099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.281099 (E_RNA) where: Base-Base interactions energy: -7.023 where: short stacking energy: -7.023 Base-Backbone interact. energy: -0.001 local terms energy: -18.257103 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -2.964 flat angles P-C4'-P energy: -3.835 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: 7, replica: 7 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -22.841814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.841814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.841814 (E_RNA) where: Base-Base interactions energy: -6.390 where: short stacking energy: -6.390 Base-Backbone interact. energy: -0.000 local terms energy: -16.450831 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.413 flat angles P-C4'-P energy: -2.980 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: 8, replica: 4 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -23.873708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.873708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.873708 (E_RNA) where: Base-Base interactions energy: -7.126 where: short stacking energy: -7.126 Base-Backbone interact. energy: -0.000 local terms energy: -16.747999 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -3.999 flat angles P-C4'-P energy: -2.570 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: 1 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -21.433919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.433919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.433919 (E_RNA) where: Base-Base interactions energy: -5.657 where: short stacking energy: -5.657 Base-Backbone interact. energy: -0.000 local terms energy: -15.776868 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.977 flat angles P-C4'-P energy: -3.596 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: 10, replica: 6 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -23.485486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.485486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.485486 (E_RNA) where: Base-Base interactions energy: -7.890 where: short stacking energy: -7.890 Base-Backbone interact. energy: -0.000 local terms energy: -15.595366 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -2.413 flat angles C4'-P-C4' energy: -2.689 flat angles P-C4'-P energy: -3.170 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: 1, replica: 5 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -25.631910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.631910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.631910 (E_RNA) where: Base-Base interactions energy: -7.414 where: short stacking energy: -7.414 Base-Backbone interact. energy: -0.001 local terms energy: -18.217596 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -4.220 flat angles P-C4'-P energy: -1.808 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: 2, replica: 3 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -24.495329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.495329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.495329 (E_RNA) where: Base-Base interactions energy: -8.570 where: short stacking energy: -8.570 Base-Backbone interact. energy: -0.003 local terms energy: -15.922176 where: bonds (distance) C4'-P energy: -3.186 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.536 flat angles P-C4'-P energy: -1.150 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: 3, replica: 10 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -27.759253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.759253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.759253 (E_RNA) where: Base-Base interactions energy: -11.355 where: short stacking energy: -11.355 Base-Backbone interact. energy: -0.000 local terms energy: -16.404621 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -2.574 flat angles C4'-P-C4' energy: -4.044 flat angles P-C4'-P energy: -2.287 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: 4, replica: 8 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -27.721811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.721811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.721811 (E_RNA) where: Base-Base interactions energy: -7.637 where: short stacking energy: -7.637 Base-Backbone interact. energy: -0.000 local terms energy: -20.085011 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.341 flat angles P-C4'-P energy: -3.555 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: 5, replica: 2 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -24.383188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.383188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.383188 (E_RNA) where: Base-Base interactions energy: -10.543 where: short stacking energy: -10.543 Base-Backbone interact. energy: -0.000 local terms energy: -13.840334 where: bonds (distance) C4'-P energy: -3.583 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.182 flat angles P-C4'-P energy: -1.056 tors. eta vs tors. theta energy: -0.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -25.311701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.311701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.311701 (E_RNA) where: Base-Base interactions energy: -8.042 where: short stacking energy: -8.042 Base-Backbone interact. energy: -0.000 local terms energy: -17.269408 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -1.867 flat angles C4'-P-C4' energy: -3.876 flat angles P-C4'-P energy: -3.037 tors. eta vs tors. theta energy: -4.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -21.632931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.632931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.632931 (E_RNA) where: Base-Base interactions energy: -7.135 where: short stacking energy: -7.135 Base-Backbone interact. energy: -0.036 local terms energy: -14.461251 where: bonds (distance) C4'-P energy: -2.626 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.553 flat angles P-C4'-P energy: -2.941 tors. eta vs tors. theta energy: -0.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -19.644038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.644038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.644038 (E_RNA) where: Base-Base interactions energy: -4.955 where: short stacking energy: -4.955 Base-Backbone interact. energy: -0.000 local terms energy: -14.689057 where: bonds (distance) C4'-P energy: -2.672 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -3.432 flat angles P-C4'-P energy: -2.829 tors. eta vs tors. theta energy: -1.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -22.015828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.015828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.015828 (E_RNA) where: Base-Base interactions energy: -5.404 where: short stacking energy: -5.404 Base-Backbone interact. energy: -0.000 local terms energy: -16.610921 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.118 flat angles P-C4'-P energy: -1.956 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: 1 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -19.655442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.655442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.655442 (E_RNA) where: Base-Base interactions energy: -7.456 where: short stacking energy: -7.456 Base-Backbone interact. energy: -0.011 local terms energy: -12.188148 where: bonds (distance) C4'-P energy: -2.325 bonds (distance) P-C4' energy: -2.278 flat angles C4'-P-C4' energy: -3.482 flat angles P-C4'-P energy: -2.535 tors. eta vs tors. theta energy: -1.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -29.810852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.810852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.810852 (E_RNA) where: Base-Base interactions energy: -11.276 where: short stacking energy: -11.276 Base-Backbone interact. energy: -0.044 local terms energy: -18.491628 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -3.134 flat angles C4'-P-C4' energy: -3.837 flat angles P-C4'-P energy: -3.758 tors. eta vs tors. theta energy: -3.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -21.260615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.260615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.260615 (E_RNA) where: Base-Base interactions energy: -5.709 where: short stacking energy: -5.709 Base-Backbone interact. energy: -0.002 local terms energy: -15.549448 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.205 flat angles P-C4'-P energy: -2.017 tors. eta vs tors. theta energy: -0.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -22.871883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.871883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.871883 (E_RNA) where: Base-Base interactions energy: -6.289 where: short stacking energy: -6.724 Base-Backbone interact. energy: -0.675 local terms energy: -15.908406 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.706 flat angles P-C4'-P energy: -1.803 tors. eta vs tors. theta energy: -2.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -24.551626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.551626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.551626 (E_RNA) where: Base-Base interactions energy: -6.832 where: short stacking energy: -6.832 Base-Backbone interact. energy: -0.000 local terms energy: -17.719694 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.644 flat angles P-C4'-P energy: -3.728 tors. eta vs tors. theta energy: -0.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -25.191864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.191864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.191864 (E_RNA) where: Base-Base interactions energy: -9.040 where: short stacking energy: -9.040 Base-Backbone interact. energy: -0.000 local terms energy: -16.151388 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.909 flat angles P-C4'-P energy: -2.434 tors. eta vs tors. theta energy: -1.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -27.459731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.459731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.459731 (E_RNA) where: Base-Base interactions energy: -8.506 where: short stacking energy: -8.506 Base-Backbone interact. energy: -0.000 local terms energy: -18.953240 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -4.839 flat angles C4'-P-C4' energy: -4.468 flat angles P-C4'-P energy: -2.525 tors. eta vs tors. theta energy: -3.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -21.084135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.084135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.084135 (E_RNA) where: Base-Base interactions energy: -4.712 where: short stacking energy: -4.712 Base-Backbone interact. energy: -0.162 local terms energy: -16.210382 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.751 flat angles P-C4'-P energy: -0.956 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: 8, replica: 6 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -22.269541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.269541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.269541 (E_RNA) where: Base-Base interactions energy: -8.040 where: short stacking energy: -8.040 Base-Backbone interact. energy: -0.092 local terms energy: -14.137853 where: bonds (distance) C4'-P energy: -3.070 bonds (distance) P-C4' energy: -3.748 flat angles C4'-P-C4' energy: -2.768 flat angles P-C4'-P energy: -2.909 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: 7 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -25.421216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.421216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.421216 (E_RNA) where: Base-Base interactions energy: -9.502 where: short stacking energy: -9.609 Base-Backbone interact. energy: -0.004 local terms energy: -15.915477 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -2.543 flat angles P-C4'-P energy: -2.556 tors. eta vs tors. theta energy: -1.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -21.712401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.712401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.712401 (E_RNA) where: Base-Base interactions energy: -3.926 where: short stacking energy: -3.926 Base-Backbone interact. energy: -0.001 local terms energy: -17.785601 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.035 flat angles P-C4'-P energy: -2.587 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: 1, replica: 10 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -26.628925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.628925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.628925 (E_RNA) where: Base-Base interactions energy: -9.853 where: short stacking energy: -9.853 Base-Backbone interact. energy: -0.081 local terms energy: -16.694804 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.150 flat angles P-C4'-P energy: -3.843 tors. eta vs tors. theta energy: 0.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -27.706710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.706710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.706710 (E_RNA) where: Base-Base interactions energy: -7.508 where: short stacking energy: -7.508 Base-Backbone interact. energy: -0.000 local terms energy: -20.199037 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.561 flat angles P-C4'-P energy: -3.369 tors. eta vs tors. theta energy: -3.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -24.396017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.396017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.396017 (E_RNA) where: Base-Base interactions energy: -6.960 where: short stacking energy: -6.960 Base-Backbone interact. energy: -0.000 local terms energy: -17.435760 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -3.367 flat angles C4'-P-C4' energy: -3.781 flat angles P-C4'-P energy: -3.892 tors. eta vs tors. theta energy: -2.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -25.381265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.381265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.381265 (E_RNA) where: Base-Base interactions energy: -7.139 where: short stacking energy: -7.139 Base-Backbone interact. energy: -0.000 local terms energy: -18.241829 where: bonds (distance) C4'-P energy: -3.344 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.079 flat angles P-C4'-P energy: -1.996 tors. eta vs tors. theta energy: -3.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -20.583119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.583119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.583119 (E_RNA) where: Base-Base interactions energy: -2.262 where: short stacking energy: -2.262 Base-Backbone interact. energy: -0.000 local terms energy: -18.321576 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -4.031 flat angles P-C4'-P energy: -3.538 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: 8 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -20.743322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.743322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.743322 (E_RNA) where: Base-Base interactions energy: -3.487 where: short stacking energy: -3.487 Base-Backbone interact. energy: -0.874 local terms energy: -16.382871 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -3.242 flat angles P-C4'-P energy: -3.257 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: 7, replica: 6 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -20.502805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.502805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.502805 (E_RNA) where: Base-Base interactions energy: -3.819 where: short stacking energy: -3.819 Base-Backbone interact. energy: -0.000 local terms energy: -16.683959 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -3.811 flat angles C4'-P-C4' energy: -4.500 flat angles P-C4'-P energy: -3.189 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: 8, replica: 9 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -25.540819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.540819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.540819 (E_RNA) where: Base-Base interactions energy: -8.551 where: short stacking energy: -8.551 Base-Backbone interact. energy: -0.000 local terms energy: -16.989557 where: bonds (distance) C4'-P energy: -2.892 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.435 flat angles P-C4'-P energy: -3.175 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: 1 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -21.240475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.240475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.240475 (E_RNA) where: Base-Base interactions energy: -6.188 where: short stacking energy: -6.188 Base-Backbone interact. energy: -0.001 local terms energy: -15.052071 where: bonds (distance) C4'-P energy: -2.316 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.526 flat angles P-C4'-P energy: -2.778 tors. eta vs tors. theta energy: -0.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -22.063950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.063950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.063950 (E_RNA) where: Base-Base interactions energy: -3.814 where: short stacking energy: -3.814 Base-Backbone interact. energy: -0.000 local terms energy: -18.249799 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.117 flat angles P-C4'-P energy: -3.807 tors. eta vs tors. theta energy: -1.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -23.017819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.017819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.017819 (E_RNA) where: Base-Base interactions energy: -6.933 where: short stacking energy: -6.933 Base-Backbone interact. energy: -0.009 local terms energy: -16.076158 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -3.709 flat angles P-C4'-P energy: -3.430 tors. eta vs tors. theta energy: 0.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -29.624347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.624347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.624347 (E_RNA) where: Base-Base interactions energy: -10.690 where: short stacking energy: -10.690 Base-Backbone interact. energy: -0.872 local terms energy: -18.061878 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.735 flat angles P-C4'-P energy: -3.041 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: 3, replica: 2 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -29.803563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.803563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.803563 (E_RNA) where: Base-Base interactions energy: -8.210 where: short stacking energy: -8.210 Base-Backbone interact. energy: -0.000 local terms energy: -21.593720 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.510 flat angles P-C4'-P energy: -3.375 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: 4, replica: 4 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -24.744811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.744811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.744811 (E_RNA) where: Base-Base interactions energy: -6.521 where: short stacking energy: -6.521 Base-Backbone interact. energy: -0.002 local terms energy: -18.222314 where: bonds (distance) C4'-P energy: -3.264 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.006 flat angles P-C4'-P energy: -3.437 tors. eta vs tors. theta energy: -4.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -25.570099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.570099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.570099 (E_RNA) where: Base-Base interactions energy: -10.881 where: short stacking energy: -10.881 Base-Backbone interact. energy: -0.005 local terms energy: -14.684239 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -2.380 flat angles P-C4'-P energy: -3.209 tors. eta vs tors. theta energy: -0.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -20.946075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.946075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.946075 (E_RNA) where: Base-Base interactions energy: -4.370 where: short stacking energy: -4.370 Base-Backbone interact. energy: -0.026 local terms energy: -16.550100 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.417 flat angles C4'-P-C4' energy: -4.451 flat angles P-C4'-P energy: -3.483 tors. eta vs tors. theta energy: 0.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -19.825307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.825307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.825307 (E_RNA) where: Base-Base interactions energy: -4.721 where: short stacking energy: -4.721 Base-Backbone interact. energy: -0.006 local terms energy: -15.098491 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -2.559 flat angles P-C4'-P energy: -2.916 tors. eta vs tors. theta energy: 0.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -20.541654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.541654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.541654 (E_RNA) where: Base-Base interactions energy: -3.721 where: short stacking energy: -3.721 Base-Backbone interact. energy: -0.107 local terms energy: -16.714522 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.019 flat angles P-C4'-P energy: -0.967 tors. eta vs tors. theta energy: -2.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -20.995716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.995716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.995716 (E_RNA) where: Base-Base interactions energy: -3.756 where: short stacking energy: -3.756 Base-Backbone interact. energy: -0.062 local terms energy: -17.177545 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -3.106 flat angles C4'-P-C4' energy: -4.084 flat angles P-C4'-P energy: -3.846 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: 10, replica: 7 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -19.289682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.289682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.289682 (E_RNA) where: Base-Base interactions energy: -4.039 where: short stacking energy: -4.039 Base-Backbone interact. energy: -0.262 local terms energy: -14.988171 where: bonds (distance) C4'-P energy: -3.152 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.362 flat angles P-C4'-P energy: -2.763 tors. eta vs tors. theta energy: -0.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -26.811645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.811645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.811645 (E_RNA) where: Base-Base interactions energy: -8.759 where: short stacking energy: -8.759 Base-Backbone interact. energy: -0.000 local terms energy: -18.052782 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.347 flat angles P-C4'-P energy: -1.221 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: 2, replica: 10 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -30.069127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.069127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.069127 (E_RNA) where: Base-Base interactions energy: -10.778 where: short stacking energy: -10.778 Base-Backbone interact. energy: -0.001 local terms energy: -19.290547 where: bonds (distance) C4'-P energy: -3.789 bonds (distance) P-C4' energy: -4.209 flat angles C4'-P-C4' energy: -4.731 flat angles P-C4'-P energy: -3.672 tors. eta vs tors. theta energy: -2.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -28.017915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.017915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.017915 (E_RNA) where: Base-Base interactions energy: -10.180 where: short stacking energy: -10.180 Base-Backbone interact. energy: -0.000 local terms energy: -17.838048 where: bonds (distance) C4'-P energy: -3.152 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.894 flat angles P-C4'-P energy: -4.034 tors. eta vs tors. theta energy: -1.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -28.499448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.499448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.499448 (E_RNA) where: Base-Base interactions energy: -11.449 where: short stacking energy: -11.449 Base-Backbone interact. energy: -0.000 local terms energy: -17.050412 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.154 flat angles P-C4'-P energy: -3.453 tors. eta vs tors. theta energy: -1.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -25.741760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.741760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.741760 (E_RNA) where: Base-Base interactions energy: -5.798 where: short stacking energy: -5.798 Base-Backbone interact. energy: -0.000 local terms energy: -19.943775 where: bonds (distance) C4'-P energy: -4.009 bonds (distance) P-C4' energy: -4.416 flat angles C4'-P-C4' energy: -3.958 flat angles P-C4'-P energy: -2.336 tors. eta vs tors. theta energy: -5.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -25.574236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.574236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.574236 (E_RNA) where: Base-Base interactions energy: -8.318 where: short stacking energy: -8.318 Base-Backbone interact. energy: -0.000 local terms energy: -17.256440 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.621 flat angles P-C4'-P energy: -1.964 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: 7, replica: 1 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -27.507280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.507280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.507280 (E_RNA) where: Base-Base interactions energy: -9.531 where: short stacking energy: -9.531 Base-Backbone interact. energy: -0.014 local terms energy: -17.961962 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -4.505 flat angles P-C4'-P energy: -1.723 tors. eta vs tors. theta energy: -3.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -21.462024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.462024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.462024 (E_RNA) where: Base-Base interactions energy: -3.801 where: short stacking energy: -3.801 Base-Backbone interact. energy: -0.000 local terms energy: -17.661008 where: bonds (distance) C4'-P energy: -3.417 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -2.764 flat angles P-C4'-P energy: -3.460 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: 9, replica: 7 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -22.202037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.202037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.202037 (E_RNA) where: Base-Base interactions energy: -5.946 where: short stacking energy: -6.502 Base-Backbone interact. energy: -0.348 local terms energy: -15.908082 where: bonds (distance) C4'-P energy: -4.063 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -3.482 flat angles P-C4'-P energy: -0.664 tors. eta vs tors. theta energy: -3.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -22.475862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.475862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.475862 (E_RNA) where: Base-Base interactions energy: -7.590 where: short stacking energy: -7.590 Base-Backbone interact. energy: -0.000 local terms energy: -14.886137 where: bonds (distance) C4'-P energy: -2.299 bonds (distance) P-C4' energy: -3.790 flat angles C4'-P-C4' energy: -3.892 flat angles P-C4'-P energy: -1.279 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: 1, replica: 5 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -26.334432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.334432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.334432 (E_RNA) where: Base-Base interactions energy: -7.317 where: short stacking energy: -7.317 Base-Backbone interact. energy: -0.000 local terms energy: -19.017029 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.490 flat angles P-C4'-P energy: -2.503 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: 2, replica: 4 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -27.180979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.180979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.180979 (E_RNA) where: Base-Base interactions energy: -8.014 where: short stacking energy: -8.014 Base-Backbone interact. energy: -0.000 local terms energy: -19.166548 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -3.889 flat angles C4'-P-C4' energy: -4.436 flat angles P-C4'-P energy: -3.441 tors. eta vs tors. theta energy: -3.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -26.903322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.903322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.903322 (E_RNA) where: Base-Base interactions energy: -7.837 where: short stacking energy: -7.837 Base-Backbone interact. energy: -0.000 local terms energy: -19.066665 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.575 flat angles C4'-P-C4' energy: -4.010 flat angles P-C4'-P energy: -1.566 tors. eta vs tors. theta energy: -4.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -22.257154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.257154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.257154 (E_RNA) where: Base-Base interactions energy: -6.894 where: short stacking energy: -6.894 Base-Backbone interact. energy: -0.016 local terms energy: -15.347550 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.149 flat angles C4'-P-C4' energy: -3.305 flat angles P-C4'-P energy: -2.555 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: 5, replica: 2 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -22.174681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.174681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.174681 (E_RNA) where: Base-Base interactions energy: -4.076 where: short stacking energy: -4.076 Base-Backbone interact. energy: -0.100 local terms energy: -17.998239 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.405 flat angles P-C4'-P energy: -1.899 tors. eta vs tors. theta energy: -2.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -23.628536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.628536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.628536 (E_RNA) where: Base-Base interactions energy: -6.988 where: short stacking energy: -6.988 Base-Backbone interact. energy: -0.103 local terms energy: -16.537561 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.124 flat angles P-C4'-P energy: -3.617 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: 7, replica: 3 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -24.838364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.838364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.838364 (E_RNA) where: Base-Base interactions energy: -8.603 where: short stacking energy: -8.603 Base-Backbone interact. energy: -0.000 local terms energy: -16.234869 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -2.416 flat angles C4'-P-C4' energy: -3.386 flat angles P-C4'-P energy: -1.713 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: 8, replica: 7 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -24.023137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.023137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.023137 (E_RNA) where: Base-Base interactions energy: -6.820 where: short stacking energy: -6.820 Base-Backbone interact. energy: -0.176 local terms energy: -17.026976 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.702 flat angles P-C4'-P energy: -2.068 tors. eta vs tors. theta energy: -1.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -20.232928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.232928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.232928 (E_RNA) where: Base-Base interactions energy: -7.699 where: short stacking energy: -7.699 Base-Backbone interact. energy: -0.008 local terms energy: -12.525912 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -3.208 flat angles C4'-P-C4' energy: -2.706 flat angles P-C4'-P energy: -3.164 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: 10, replica: 9 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -23.575711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.575711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.575711 (E_RNA) where: Base-Base interactions energy: -11.135 where: short stacking energy: -11.135 Base-Backbone interact. energy: 0.036 local terms energy: -12.476407 where: bonds (distance) C4'-P energy: -2.457 bonds (distance) P-C4' energy: -3.128 flat angles C4'-P-C4' energy: -2.500 flat angles P-C4'-P energy: -2.327 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: 1, replica: 4 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -26.965296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.965296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.965296 (E_RNA) where: Base-Base interactions energy: -7.546 where: short stacking energy: -7.546 Base-Backbone interact. energy: -0.000 local terms energy: -19.419194 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.875 flat angles P-C4'-P energy: -2.530 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: 5 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -27.461578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.461578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.461578 (E_RNA) where: Base-Base interactions energy: -8.507 where: short stacking energy: -8.507 Base-Backbone interact. energy: -0.013 local terms energy: -18.941725 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -4.413 flat angles C4'-P-C4' energy: -4.220 flat angles P-C4'-P energy: -3.376 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: 3, replica: 6 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -23.003106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.003106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.003106 (E_RNA) where: Base-Base interactions energy: -5.313 where: short stacking energy: -5.313 Base-Backbone interact. energy: -0.075 local terms energy: -17.615013 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.341 flat angles P-C4'-P energy: -3.564 tors. eta vs tors. theta energy: -1.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -25.970727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.970727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.970727 (E_RNA) where: Base-Base interactions energy: -7.325 where: short stacking energy: -7.325 Base-Backbone interact. energy: -0.000 local terms energy: -18.645825 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.249 flat angles P-C4'-P energy: -3.173 tors. eta vs tors. theta energy: -2.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -20.557120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.557120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.557120 (E_RNA) where: Base-Base interactions energy: -4.190 where: short stacking energy: -4.190 Base-Backbone interact. energy: -0.375 local terms energy: -15.992445 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.036 flat angles P-C4'-P energy: -0.222 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: 6, replica: 2 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -23.148231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.148231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.148231 (E_RNA) where: Base-Base interactions energy: -5.841 where: short stacking energy: -5.841 Base-Backbone interact. energy: -0.030 local terms energy: -17.277625 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -2.848 flat angles P-C4'-P energy: -3.624 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: 7, replica: 3 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -26.930419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.930419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.930419 (E_RNA) where: Base-Base interactions energy: -8.446 where: short stacking energy: -8.593 Base-Backbone interact. energy: -0.023 local terms energy: -18.460825 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -4.044 flat angles C4'-P-C4' energy: -3.955 flat angles P-C4'-P energy: -3.410 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: 8, replica: 7 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -21.877469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.877469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.877469 (E_RNA) where: Base-Base interactions energy: -6.396 where: short stacking energy: -6.396 Base-Backbone interact. energy: -0.086 local terms energy: -15.395397 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -2.867 flat angles P-C4'-P energy: -3.758 tors. eta vs tors. theta energy: -0.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -22.555404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.555404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.555404 (E_RNA) where: Base-Base interactions energy: -8.152 where: short stacking energy: -8.152 Base-Backbone interact. energy: -0.000 local terms energy: -14.403037 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -1.824 flat angles P-C4'-P energy: -2.298 tors. eta vs tors. theta energy: -1.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -24.283887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.283887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.283887 (E_RNA) where: Base-Base interactions energy: -8.567 where: short stacking energy: -8.567 Base-Backbone interact. energy: -0.001 local terms energy: -15.716251 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -3.818 flat angles C4'-P-C4' energy: -4.121 flat angles P-C4'-P energy: -2.384 tors. eta vs tors. theta energy: -1.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -26.542674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.542674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.542674 (E_RNA) where: Base-Base interactions energy: -8.759 where: short stacking energy: -8.759 Base-Backbone interact. energy: -0.058 local terms energy: -17.725084 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.451 flat angles P-C4'-P energy: -1.345 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: 2, replica: 6 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -26.080603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.080603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.080603 (E_RNA) where: Base-Base interactions energy: -8.120 where: short stacking energy: -8.120 Base-Backbone interact. energy: -0.000 local terms energy: -17.960213 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -4.417 flat angles C4'-P-C4' energy: -4.432 flat angles P-C4'-P energy: -2.745 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: 3, replica: 5 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -23.867508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.867508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.867508 (E_RNA) where: Base-Base interactions energy: -6.768 where: short stacking energy: -6.768 Base-Backbone interact. energy: -0.011 local terms energy: -17.088082 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -2.549 flat angles P-C4'-P energy: -2.740 tors. eta vs tors. theta energy: -3.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -22.739896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.739896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.739896 (E_RNA) where: Base-Base interactions energy: -6.665 where: short stacking energy: -6.665 Base-Backbone interact. energy: -0.002 local terms energy: -16.072452 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -3.364 flat angles C4'-P-C4' energy: -4.801 flat angles P-C4'-P energy: -2.636 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: 5, replica: 10 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -27.483437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.483437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.483437 (E_RNA) where: Base-Base interactions energy: -9.207 where: short stacking energy: -9.207 Base-Backbone interact. energy: -0.000 local terms energy: -18.276240 where: bonds (distance) C4'-P energy: -3.479 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.257 flat angles P-C4'-P energy: -2.023 tors. eta vs tors. theta energy: -4.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -23.869128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.869128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.869128 (E_RNA) where: Base-Base interactions energy: -6.414 where: short stacking energy: -6.414 Base-Backbone interact. energy: -0.000 local terms energy: -17.454795 where: bonds (distance) C4'-P energy: -1.852 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.221 flat angles P-C4'-P energy: -3.063 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: 7, replica: 2 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -20.851100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.851100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.851100 (E_RNA) where: Base-Base interactions energy: -3.697 where: short stacking energy: -3.697 Base-Backbone interact. energy: -0.079 local terms energy: -17.074676 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.768 flat angles P-C4'-P energy: -2.739 tors. eta vs tors. theta energy: -1.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -20.631893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.631893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.631893 (E_RNA) where: Base-Base interactions energy: -6.379 where: short stacking energy: -6.379 Base-Backbone interact. energy: -0.000 local terms energy: -14.252997 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -3.748 flat angles C4'-P-C4' energy: -4.234 flat angles P-C4'-P energy: -0.925 tors. eta vs tors. theta energy: -0.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -24.166691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.166691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.166691 (E_RNA) where: Base-Base interactions energy: -6.535 where: short stacking energy: -6.535 Base-Backbone interact. energy: -0.000 local terms energy: -17.631582 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -4.014 flat angles P-C4'-P energy: -3.123 tors. eta vs tors. theta energy: -1.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -22.780556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.780556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.780556 (E_RNA) where: Base-Base interactions energy: -3.270 where: short stacking energy: -3.270 Base-Backbone interact. energy: -0.003 local terms energy: -19.507807 where: bonds (distance) C4'-P energy: -3.947 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.453 flat angles P-C4'-P energy: -3.026 tors. eta vs tors. theta energy: -3.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -28.589381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.589381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.589381 (E_RNA) where: Base-Base interactions energy: -11.210 where: short stacking energy: -11.210 Base-Backbone interact. energy: -0.000 local terms energy: -17.379645 where: bonds (distance) C4'-P energy: -3.322 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -2.226 flat angles P-C4'-P energy: -3.485 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: 2, replica: 4 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -26.018376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.018376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.018376 (E_RNA) where: Base-Base interactions energy: -7.312 where: short stacking energy: -7.312 Base-Backbone interact. energy: -0.005 local terms energy: -18.700833 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.114 flat angles P-C4'-P energy: -2.850 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: 3, replica: 1 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -28.780057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.780057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.780057 (E_RNA) where: Base-Base interactions energy: -8.388 where: short stacking energy: -8.388 Base-Backbone interact. energy: -0.000 local terms energy: -20.392359 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -4.657 flat angles P-C4'-P energy: -2.837 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: 4, replica: 5 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -26.099923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.099923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.099923 (E_RNA) where: Base-Base interactions energy: -11.140 where: short stacking energy: -11.140 Base-Backbone interact. energy: -0.000 local terms energy: -14.959610 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -3.891 flat angles C4'-P-C4' energy: -3.258 flat angles P-C4'-P energy: -1.134 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: 5, replica: 3 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -22.700194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.700194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.700194 (E_RNA) where: Base-Base interactions energy: -6.782 where: short stacking energy: -6.782 Base-Backbone interact. energy: -0.001 local terms energy: -15.917537 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.129 flat angles P-C4'-P energy: -2.109 tors. eta vs tors. theta energy: -0.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -23.209822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.209822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.209822 (E_RNA) where: Base-Base interactions energy: -5.831 where: short stacking energy: -5.831 Base-Backbone interact. energy: -0.000 local terms energy: -17.378324 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.044 flat angles C4'-P-C4' energy: -4.043 flat angles P-C4'-P energy: -2.556 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: 9 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -22.556578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.556578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.556578 (E_RNA) where: Base-Base interactions energy: -7.011 where: short stacking energy: -7.011 Base-Backbone interact. energy: -0.004 local terms energy: -15.540988 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -4.441 flat angles C4'-P-C4' energy: -3.498 flat angles P-C4'-P energy: -2.815 tors. eta vs tors. theta energy: -1.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -21.831438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.831438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.831438 (E_RNA) where: Base-Base interactions energy: -9.752 where: short stacking energy: -10.068 Base-Backbone interact. energy: -0.047 local terms energy: -12.032493 where: bonds (distance) C4'-P energy: -1.314 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -3.283 flat angles P-C4'-P energy: -0.355 tors. eta vs tors. theta energy: -1.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -21.773858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.773858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.773858 (E_RNA) where: Base-Base interactions energy: -6.651 where: short stacking energy: -6.651 Base-Backbone interact. energy: -0.000 local terms energy: -15.122410 where: bonds (distance) C4'-P energy: -3.053 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -1.582 flat angles P-C4'-P energy: -2.968 tors. eta vs tors. theta energy: -2.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -20.511067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.511067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.511067 (E_RNA) where: Base-Base interactions energy: -5.442 where: short stacking energy: -5.442 Base-Backbone interact. energy: -0.000 local terms energy: -15.069238 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.451 flat angles P-C4'-P energy: 0.062 tors. eta vs tors. theta energy: -1.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -28.677064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.677064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.677064 (E_RNA) where: Base-Base interactions energy: -11.488 where: short stacking energy: -11.488 Base-Backbone interact. energy: -0.000 local terms energy: -17.188661 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -4.344 flat angles P-C4'-P energy: -1.138 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: 2, replica: 4 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -27.695223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.695223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.695223 (E_RNA) where: Base-Base interactions energy: -7.562 where: short stacking energy: -7.562 Base-Backbone interact. energy: -0.000 local terms energy: -20.133608 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.413 flat angles C4'-P-C4' energy: -4.308 flat angles P-C4'-P energy: -3.348 tors. eta vs tors. theta energy: -3.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -25.586588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.586588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.586588 (E_RNA) where: Base-Base interactions energy: -10.574 where: short stacking energy: -10.574 Base-Backbone interact. energy: -0.000 local terms energy: -15.012830 where: bonds (distance) C4'-P energy: -3.045 bonds (distance) P-C4' energy: -4.082 flat angles C4'-P-C4' energy: -4.276 flat angles P-C4'-P energy: -1.382 tors. eta vs tors. theta energy: -2.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -24.855039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.855039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.855039 (E_RNA) where: Base-Base interactions energy: -7.187 where: short stacking energy: -7.187 Base-Backbone interact. energy: -0.013 local terms energy: -17.654724 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -3.353 flat angles P-C4'-P energy: -2.971 tors. eta vs tors. theta energy: -2.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -21.784154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.784154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.784154 (E_RNA) where: Base-Base interactions energy: -3.552 where: short stacking energy: -3.552 Base-Backbone interact. energy: -0.024 local terms energy: -18.208158 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.456 flat angles P-C4'-P energy: -2.357 tors. eta vs tors. theta energy: -3.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -23.394863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.394863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.394863 (E_RNA) where: Base-Base interactions energy: -8.518 where: short stacking energy: -8.518 Base-Backbone interact. energy: -0.003 local terms energy: -14.873882 where: bonds (distance) C4'-P energy: -3.889 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.254 flat angles P-C4'-P energy: -2.964 tors. eta vs tors. theta energy: 0.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -22.775202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.775202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.775202 (E_RNA) where: Base-Base interactions energy: -6.848 where: short stacking energy: -6.848 Base-Backbone interact. energy: -0.001 local terms energy: -15.926078 where: bonds (distance) C4'-P energy: -2.842 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.157 flat angles P-C4'-P energy: -2.370 tors. eta vs tors. theta energy: -1.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -21.640571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.640571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.640571 (E_RNA) where: Base-Base interactions energy: -5.614 where: short stacking energy: -5.614 Base-Backbone interact. energy: -0.000 local terms energy: -16.026113 where: bonds (distance) C4'-P energy: -2.946 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -2.871 flat angles P-C4'-P energy: -3.946 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: 2 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -23.188267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.188267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.188267 (E_RNA) where: Base-Base interactions energy: -6.208 where: short stacking energy: -6.208 Base-Backbone interact. energy: -0.000 local terms energy: -16.979866 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.343 flat angles C4'-P-C4' energy: -1.029 flat angles P-C4'-P energy: -2.743 tors. eta vs tors. theta energy: -4.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -25.886642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.886642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.886642 (E_RNA) where: Base-Base interactions energy: -7.697 where: short stacking energy: -7.697 Base-Backbone interact. energy: -0.000 local terms energy: -18.190066 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.170 flat angles P-C4'-P energy: -3.021 tors. eta vs tors. theta energy: -2.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -29.273388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.273388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.273388 (E_RNA) where: Base-Base interactions energy: -11.504 where: short stacking energy: -11.504 Base-Backbone interact. energy: -0.060 local terms energy: -17.709836 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.839 flat angles C4'-P-C4' energy: -3.034 flat angles P-C4'-P energy: -3.806 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: 2, replica: 6 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -23.877204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.877204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.877204 (E_RNA) where: Base-Base interactions energy: -7.373 where: short stacking energy: -7.373 Base-Backbone interact. energy: -0.008 local terms energy: -16.496409 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -1.759 flat angles P-C4'-P energy: -3.382 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: 3, replica: 1 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -24.500360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.500360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.500360 (E_RNA) where: Base-Base interactions energy: -7.866 where: short stacking energy: -7.866 Base-Backbone interact. energy: -0.000 local terms energy: -16.634012 where: bonds (distance) C4'-P energy: -3.169 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.716 flat angles P-C4'-P energy: -0.912 tors. eta vs tors. theta energy: -2.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -24.865665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.865665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.865665 (E_RNA) where: Base-Base interactions energy: -8.831 where: short stacking energy: -8.831 Base-Backbone interact. energy: 0.407 local terms energy: -16.441625 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.639 flat angles P-C4'-P energy: -3.157 tors. eta vs tors. theta energy: -1.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -30.613475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.613475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.613475 (E_RNA) where: Base-Base interactions energy: -9.551 where: short stacking energy: -9.551 Base-Backbone interact. energy: -0.000 local terms energy: -21.062891 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.599 flat angles P-C4'-P energy: -3.482 tors. eta vs tors. theta energy: -3.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -23.100296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.100296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.100296 (E_RNA) where: Base-Base interactions energy: -6.435 where: short stacking energy: -6.435 Base-Backbone interact. energy: -0.000 local terms energy: -16.665720 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.821 flat angles P-C4'-P energy: -2.381 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: 7, replica: 8 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -22.919219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.919219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.919219 (E_RNA) where: Base-Base interactions energy: -6.871 where: short stacking energy: -6.871 Base-Backbone interact. energy: -0.000 local terms energy: -16.048330 where: bonds (distance) C4'-P energy: -2.668 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -4.106 flat angles P-C4'-P energy: -1.345 tors. eta vs tors. theta energy: -3.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -21.190335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.190335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.190335 (E_RNA) where: Base-Base interactions energy: -4.714 where: short stacking energy: -4.714 Base-Backbone interact. energy: -0.001 local terms energy: -16.475806 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.097 flat angles P-C4'-P energy: -1.703 tors. eta vs tors. theta energy: -1.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -27.049759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.049759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.049759 (E_RNA) where: Base-Base interactions energy: -6.217 where: short stacking energy: -6.217 Base-Backbone interact. energy: -0.000 local terms energy: -20.832717 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.801 flat angles P-C4'-P energy: -2.914 tors. eta vs tors. theta energy: -4.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -21.031106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.031106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.031106 (E_RNA) where: Base-Base interactions energy: -7.083 where: short stacking energy: -7.083 Base-Backbone interact. energy: -0.000 local terms energy: -13.947608 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -1.632 flat angles P-C4'-P energy: -0.895 tors. eta vs tors. theta energy: -3.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -23.535228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.535228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.535228 (E_RNA) where: Base-Base interactions energy: -8.426 where: short stacking energy: -8.426 Base-Backbone interact. energy: -0.091 local terms energy: -15.018441 where: bonds (distance) C4'-P energy: -4.311 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.697 flat angles P-C4'-P energy: 0.698 tors. eta vs tors. theta energy: -2.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -30.564618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.564618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.564618 (E_RNA) where: Base-Base interactions energy: -11.568 where: short stacking energy: -11.568 Base-Backbone interact. energy: -0.000 local terms energy: -18.996160 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -4.631 flat angles C4'-P-C4' energy: -3.599 flat angles P-C4'-P energy: -3.633 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: 3, replica: 6 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -26.086485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.086485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.086485 (E_RNA) where: Base-Base interactions energy: -7.099 where: short stacking energy: -7.099 Base-Backbone interact. energy: -0.002 local terms energy: -18.985449 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.490 flat angles P-C4'-P energy: -3.692 tors. eta vs tors. theta energy: -1.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -21.163205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.163205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.163205 (E_RNA) where: Base-Base interactions energy: -7.301 where: short stacking energy: -7.301 Base-Backbone interact. energy: -0.071 local terms energy: -13.791165 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.307 flat angles P-C4'-P energy: -1.585 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: 5, replica: 3 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -24.899682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.899682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.899682 (E_RNA) where: Base-Base interactions energy: -7.900 where: short stacking energy: -7.900 Base-Backbone interact. energy: -0.001 local terms energy: -16.998743 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -2.895 flat angles C4'-P-C4' energy: -4.401 flat angles P-C4'-P energy: -2.868 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: 6, replica: 8 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -26.251210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.251210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.251210 (E_RNA) where: Base-Base interactions energy: -8.475 where: short stacking energy: -8.475 Base-Backbone interact. energy: -0.000 local terms energy: -17.775802 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.471 flat angles P-C4'-P energy: -3.100 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: 7, replica: 5 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -23.001303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.001303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.001303 (E_RNA) where: Base-Base interactions energy: -6.936 where: short stacking energy: -6.936 Base-Backbone interact. energy: -0.000 local terms energy: -16.064844 where: bonds (distance) C4'-P energy: -3.645 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -1.768 flat angles P-C4'-P energy: -3.539 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: 8, replica: 7 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -27.238223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.238223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.238223 (E_RNA) where: Base-Base interactions energy: -12.626 where: short stacking energy: -12.626 Base-Backbone interact. energy: -0.000 local terms energy: -14.611914 where: bonds (distance) C4'-P energy: -3.567 bonds (distance) P-C4' energy: -2.895 flat angles C4'-P-C4' energy: -4.505 flat angles P-C4'-P energy: -1.926 tors. eta vs tors. theta energy: -1.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -21.210632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.210632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.210632 (E_RNA) where: Base-Base interactions energy: -9.269 where: short stacking energy: -9.269 Base-Backbone interact. energy: -0.003 local terms energy: -11.938735 where: bonds (distance) C4'-P energy: -3.152 bonds (distance) P-C4' energy: -3.336 flat angles C4'-P-C4' energy: -2.588 flat angles P-C4'-P energy: -0.606 tors. eta vs tors. theta energy: -2.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -20.967715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.967715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.967715 (E_RNA) where: Base-Base interactions energy: -5.723 where: short stacking energy: -5.723 Base-Backbone interact. energy: -0.000 local terms energy: -15.244796 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -3.650 flat angles P-C4'-P energy: -2.125 tors. eta vs tors. theta energy: -1.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -26.124343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.124343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.124343 (E_RNA) where: Base-Base interactions energy: -6.372 where: short stacking energy: -6.853 Base-Backbone interact. energy: -0.680 local terms energy: -19.072062 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.614 flat angles P-C4'-P energy: -2.681 tors. eta vs tors. theta energy: -1.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -24.542312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.542312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.542312 (E_RNA) where: Base-Base interactions energy: -7.238 where: short stacking energy: -7.238 Base-Backbone interact. energy: 0.112 local terms energy: -17.415963 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -4.466 flat angles P-C4'-P energy: -3.632 tors. eta vs tors. theta energy: -0.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -29.395742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.395742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.395742 (E_RNA) where: Base-Base interactions energy: -11.195 where: short stacking energy: -11.195 Base-Backbone interact. energy: -0.000 local terms energy: -18.200355 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.945 flat angles P-C4'-P energy: -2.209 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: 4, replica: 6 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -24.054318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.054318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.054318 (E_RNA) where: Base-Base interactions energy: -5.792 where: short stacking energy: -5.792 Base-Backbone interact. energy: -0.000 local terms energy: -18.262660 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.398 flat angles P-C4'-P energy: -2.150 tors. eta vs tors. theta energy: -2.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -24.663415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.663415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.663415 (E_RNA) where: Base-Base interactions energy: -7.486 where: short stacking energy: -7.505 Base-Backbone interact. energy: -0.001 local terms energy: -17.176708 where: bonds (distance) C4'-P energy: -3.393 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.870 flat angles P-C4'-P energy: -3.569 tors. eta vs tors. theta energy: -1.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -23.135625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.135625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.135625 (E_RNA) where: Base-Base interactions energy: -5.864 where: short stacking energy: -5.864 Base-Backbone interact. energy: -0.003 local terms energy: -17.269546 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -2.997 flat angles P-C4'-P energy: -2.745 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: 7, replica: 7 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -22.898509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.898509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.898509 (E_RNA) where: Base-Base interactions energy: -6.919 where: short stacking energy: -6.919 Base-Backbone interact. energy: -0.007 local terms energy: -15.972852 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.013 flat angles P-C4'-P energy: -1.052 tors. eta vs tors. theta energy: -1.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -25.142074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.142074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.142074 (E_RNA) where: Base-Base interactions energy: -7.432 where: short stacking energy: -7.432 Base-Backbone interact. energy: -0.000 local terms energy: -17.709780 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.631 flat angles C4'-P-C4' energy: -3.829 flat angles P-C4'-P energy: -3.523 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: 9, replica: 2 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -23.333455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.333455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.333455 (E_RNA) where: Base-Base interactions energy: -5.478 where: short stacking energy: -5.478 Base-Backbone interact. energy: -0.001 local terms energy: -17.854326 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.547 flat angles P-C4'-P energy: -3.593 tors. eta vs tors. theta energy: -1.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -23.299859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.299859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.299859 (E_RNA) where: Base-Base interactions energy: -5.208 where: short stacking energy: -5.208 Base-Backbone interact. energy: -0.000 local terms energy: -18.092319 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -3.560 flat angles C4'-P-C4' energy: -3.415 flat angles P-C4'-P energy: -3.732 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: 1, replica: 1 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -26.581161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.581161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.581161 (E_RNA) where: Base-Base interactions energy: -11.615 where: short stacking energy: -11.615 Base-Backbone interact. energy: -0.010 local terms energy: -14.956240 where: bonds (distance) C4'-P energy: -2.838 bonds (distance) P-C4' energy: -4.205 flat angles C4'-P-C4' energy: -3.902 flat angles P-C4'-P energy: -3.172 tors. eta vs tors. theta energy: -0.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -30.785981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.785981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.785981 (E_RNA) where: Base-Base interactions energy: -10.585 where: short stacking energy: -10.585 Base-Backbone interact. energy: -0.000 local terms energy: -20.201201 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.332 flat angles P-C4'-P energy: -3.666 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: 3, replica: 4 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -25.771653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.771653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.771653 (E_RNA) where: Base-Base interactions energy: -8.434 where: short stacking energy: -8.434 Base-Backbone interact. energy: -0.000 local terms energy: -17.337539 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -1.742 flat angles P-C4'-P energy: -3.892 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: 4, replica: 8 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -25.358594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.358594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.358594 (E_RNA) where: Base-Base interactions energy: -7.851 where: short stacking energy: -7.851 Base-Backbone interact. energy: -0.000 local terms energy: -17.506943 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -2.448 flat angles C4'-P-C4' energy: -4.437 flat angles P-C4'-P energy: -3.204 tors. eta vs tors. theta energy: -3.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -29.762763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.762763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.762763 (E_RNA) where: Base-Base interactions energy: -11.797 where: short stacking energy: -11.797 Base-Backbone interact. energy: -0.000 local terms energy: -17.965797 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -3.578 flat angles C4'-P-C4' energy: -3.537 flat angles P-C4'-P energy: -2.959 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: 6, replica: 7 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -25.814202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.814202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.814202 (E_RNA) where: Base-Base interactions energy: -7.346 where: short stacking energy: -7.346 Base-Backbone interact. energy: -0.000 local terms energy: -18.468391 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.432 flat angles P-C4'-P energy: -4.098 tors. eta vs tors. theta energy: -1.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -24.805381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.805381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.805381 (E_RNA) where: Base-Base interactions energy: -8.020 where: short stacking energy: -8.020 Base-Backbone interact. energy: -0.096 local terms energy: -16.689465 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.237 flat angles P-C4'-P energy: -2.809 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: 2 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -23.381907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.381907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.381907 (E_RNA) where: Base-Base interactions energy: -7.634 where: short stacking energy: -7.634 Base-Backbone interact. energy: -0.000 local terms energy: -15.748096 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -3.790 flat angles C4'-P-C4' energy: -2.906 flat angles P-C4'-P energy: -1.252 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: 5 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -20.517692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.517692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.517692 (E_RNA) where: Base-Base interactions energy: -4.420 where: short stacking energy: -4.420 Base-Backbone interact. energy: -0.005 local terms energy: -16.093287 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.417 flat angles C4'-P-C4' energy: -4.365 flat angles P-C4'-P energy: -2.853 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: 10, replica: 10 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -20.679623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.679623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.679623 (E_RNA) where: Base-Base interactions energy: -5.248 where: short stacking energy: -5.248 Base-Backbone interact. energy: -0.000 local terms energy: -15.431910 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -2.583 flat angles P-C4'-P energy: -3.506 tors. eta vs tors. theta energy: -1.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -23.483331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.483331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.483331 (E_RNA) where: Base-Base interactions energy: -6.358 where: short stacking energy: -6.358 Base-Backbone interact. energy: -0.003 local terms energy: -17.121706 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.628 flat angles P-C4'-P energy: -2.591 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: 2, replica: 1 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -30.917631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.917631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.917631 (E_RNA) where: Base-Base interactions energy: -9.689 where: short stacking energy: -9.689 Base-Backbone interact. energy: -0.000 local terms energy: -21.228759 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.276 flat angles P-C4'-P energy: -3.580 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: 3, replica: 8 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -25.872657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.872657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.872657 (E_RNA) where: Base-Base interactions energy: -7.994 where: short stacking energy: -7.994 Base-Backbone interact. energy: -0.007 local terms energy: -17.870871 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.536 flat angles P-C4'-P energy: -3.884 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: 4, replica: 4 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -22.005891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.005891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.005891 (E_RNA) where: Base-Base interactions energy: -6.157 where: short stacking energy: -6.157 Base-Backbone interact. energy: -0.120 local terms energy: -15.728829 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.466 flat angles P-C4'-P energy: -2.688 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: 7 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -24.141342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.141342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.141342 (E_RNA) where: Base-Base interactions energy: -5.417 where: short stacking energy: -5.417 Base-Backbone interact. energy: -0.000 local terms energy: -18.724239 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -3.925 flat angles P-C4'-P energy: -3.227 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: 6, replica: 6 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -25.642360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.642360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.642360 (E_RNA) where: Base-Base interactions energy: -10.983 where: short stacking energy: -10.983 Base-Backbone interact. energy: -0.001 local terms energy: -14.659322 where: bonds (distance) C4'-P energy: -3.061 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -2.907 flat angles P-C4'-P energy: -0.718 tors. eta vs tors. theta energy: -3.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -21.439821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.439821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.439821 (E_RNA) where: Base-Base interactions energy: -5.246 where: short stacking energy: -5.246 Base-Backbone interact. energy: -0.000 local terms energy: -16.193474 where: bonds (distance) C4'-P energy: -2.788 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -4.099 flat angles P-C4'-P energy: -3.132 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: 8, replica: 3 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -23.371851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.371851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.371851 (E_RNA) where: Base-Base interactions energy: -4.704 where: short stacking energy: -4.704 Base-Backbone interact. energy: -0.001 local terms energy: -18.666517 where: bonds (distance) C4'-P energy: -3.161 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -4.559 flat angles P-C4'-P energy: -3.976 tors. eta vs tors. theta energy: -2.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -21.093134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.093134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.093134 (E_RNA) where: Base-Base interactions energy: -3.956 where: short stacking energy: -3.956 Base-Backbone interact. energy: -0.002 local terms energy: -17.136013 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -3.469 flat angles C4'-P-C4' energy: -4.133 flat angles P-C4'-P energy: -3.368 tors. eta vs tors. theta energy: -2.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -20.381550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.381550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.381550 (E_RNA) where: Base-Base interactions energy: -6.230 where: short stacking energy: -6.230 Base-Backbone interact. energy: -0.029 local terms energy: -14.123324 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -4.148 flat angles P-C4'-P energy: -2.221 tors. eta vs tors. theta energy: 0.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -24.721490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.721490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.721490 (E_RNA) where: Base-Base interactions energy: -7.540 where: short stacking energy: -7.540 Base-Backbone interact. energy: -0.038 local terms energy: -17.143085 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.520 flat angles P-C4'-P energy: -2.928 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: 2, replica: 8 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -29.500556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.500556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.500556 (E_RNA) where: Base-Base interactions energy: -10.308 where: short stacking energy: -10.308 Base-Backbone interact. energy: -0.000 local terms energy: -19.192622 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -2.746 flat angles P-C4'-P energy: -3.928 tors. eta vs tors. theta energy: -2.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -21.686676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.686676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.686676 (E_RNA) where: Base-Base interactions energy: -4.504 where: short stacking energy: -4.504 Base-Backbone interact. energy: -0.000 local terms energy: -17.182775 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.752 flat angles P-C4'-P energy: -1.188 tors. eta vs tors. theta energy: -3.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -26.099493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.099493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.099493 (E_RNA) where: Base-Base interactions energy: -7.862 where: short stacking energy: -7.862 Base-Backbone interact. energy: -0.000 local terms energy: -18.237502 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -3.410 flat angles P-C4'-P energy: -1.884 tors. eta vs tors. theta energy: -4.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -20.203788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.203788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.203788 (E_RNA) where: Base-Base interactions energy: -4.115 where: short stacking energy: -4.115 Base-Backbone interact. energy: -0.769 local terms energy: -15.320218 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.818 flat angles P-C4'-P energy: -3.338 tors. eta vs tors. theta energy: 1.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -21.457447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.457447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.457447 (E_RNA) where: Base-Base interactions energy: -4.096 where: short stacking energy: -4.096 Base-Backbone interact. energy: -0.100 local terms energy: -17.261410 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.237 flat angles P-C4'-P energy: -2.495 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: 6 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -25.467215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.467215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.467215 (E_RNA) where: Base-Base interactions energy: -9.993 where: short stacking energy: -9.993 Base-Backbone interact. energy: -0.000 local terms energy: -15.474293 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -1.796 flat angles C4'-P-C4' energy: -2.971 flat angles P-C4'-P energy: -2.195 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: 8, replica: 10 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -20.543676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.543676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.543676 (E_RNA) where: Base-Base interactions energy: -6.544 where: short stacking energy: -6.544 Base-Backbone interact. energy: -0.006 local terms energy: -13.994478 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -3.969 flat angles C4'-P-C4' energy: -3.539 flat angles P-C4'-P energy: -2.010 tors. eta vs tors. theta energy: -0.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -21.521173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.521173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.521173 (E_RNA) where: Base-Base interactions energy: -4.312 where: short stacking energy: -4.312 Base-Backbone interact. energy: -0.000 local terms energy: -17.208905 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -2.846 flat angles P-C4'-P energy: -3.557 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: 5 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -20.009174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.009174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.009174 (E_RNA) where: Base-Base interactions energy: -4.084 where: short stacking energy: -4.084 Base-Backbone interact. energy: -0.090 local terms energy: -15.835410 where: bonds (distance) C4'-P energy: -3.575 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.306 flat angles P-C4'-P energy: -3.226 tors. eta vs tors. theta energy: -0.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -27.012233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.012233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.012233 (E_RNA) where: Base-Base interactions energy: -6.990 where: short stacking energy: -6.990 Base-Backbone interact. energy: -0.000 local terms energy: -20.021923 where: bonds (distance) C4'-P energy: -3.645 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.225 flat angles P-C4'-P energy: -3.104 tors. eta vs tors. theta energy: -4.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -25.860521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.860521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.860521 (E_RNA) where: Base-Base interactions energy: -8.319 where: short stacking energy: -8.319 Base-Backbone interact. energy: -0.000 local terms energy: -17.541324 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -4.678 flat angles P-C4'-P energy: -1.042 tors. eta vs tors. theta energy: -3.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -28.316472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.316472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.316472 (E_RNA) where: Base-Base interactions energy: -8.347 where: short stacking energy: -8.347 Base-Backbone interact. energy: -0.000 local terms energy: -19.969217 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -4.447 flat angles P-C4'-P energy: -2.967 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: 4, replica: 1 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -23.529820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.529820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.529820 (E_RNA) where: Base-Base interactions energy: -7.272 where: short stacking energy: -7.272 Base-Backbone interact. energy: -0.000 local terms energy: -16.257698 where: bonds (distance) C4'-P energy: -4.427 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -2.646 flat angles P-C4'-P energy: -2.086 tors. eta vs tors. theta energy: -2.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -26.026899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.026899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.026899 (E_RNA) where: Base-Base interactions energy: -7.282 where: short stacking energy: -7.282 Base-Backbone interact. energy: -0.000 local terms energy: -18.744794 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.561 flat angles P-C4'-P energy: -3.545 tors. eta vs tors. theta energy: -1.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -21.984429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.984429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.984429 (E_RNA) where: Base-Base interactions energy: -7.760 where: short stacking energy: -7.760 Base-Backbone interact. energy: -0.104 local terms energy: -14.121040 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.481 flat angles P-C4'-P energy: -2.987 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: 7, replica: 10 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -25.273396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.273396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.273396 (E_RNA) where: Base-Base interactions energy: -7.092 where: short stacking energy: -7.092 Base-Backbone interact. energy: 0.384 local terms energy: -18.565235 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.579 flat angles P-C4'-P energy: -3.610 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: 8, replica: 6 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -24.484826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.484826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.484826 (E_RNA) where: Base-Base interactions energy: -6.574 where: short stacking energy: -6.574 Base-Backbone interact. energy: -0.000 local terms energy: -17.910594 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -4.842 flat angles C4'-P-C4' energy: -4.116 flat angles P-C4'-P energy: -2.616 tors. eta vs tors. theta energy: -2.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -21.926738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.926738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.926738 (E_RNA) where: Base-Base interactions energy: -5.176 where: short stacking energy: -5.176 Base-Backbone interact. energy: 0.842 local terms energy: -17.592193 where: bonds (distance) C4'-P energy: -3.716 bonds (distance) P-C4' energy: -4.569 flat angles C4'-P-C4' energy: -4.805 flat angles P-C4'-P energy: -1.975 tors. eta vs tors. theta energy: -2.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -19.748419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.748419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.748419 (E_RNA) where: Base-Base interactions energy: -0.779 where: short stacking energy: -0.779 Base-Backbone interact. energy: -0.000 local terms energy: -18.969334 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.280 flat angles P-C4'-P energy: -3.258 tors. eta vs tors. theta energy: -2.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -28.710470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.710470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.710470 (E_RNA) where: Base-Base interactions energy: -10.163 where: short stacking energy: -10.163 Base-Backbone interact. energy: -0.000 local terms energy: -18.547522 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.987 flat angles P-C4'-P energy: -1.931 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: 7 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -23.046603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.046603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.046603 (E_RNA) where: Base-Base interactions energy: -7.866 where: short stacking energy: -7.866 Base-Backbone interact. energy: -0.099 local terms energy: -15.081749 where: bonds (distance) C4'-P energy: -3.152 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.065 flat angles P-C4'-P energy: -2.963 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: 3, replica: 9 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -22.414507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.414507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.414507 (E_RNA) where: Base-Base interactions energy: -6.942 where: short stacking energy: -6.942 Base-Backbone interact. energy: -0.003 local terms energy: -15.469798 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -3.340 flat angles P-C4'-P energy: -2.844 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: 4, replica: 2 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -24.697809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.697809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.697809 (E_RNA) where: Base-Base interactions energy: -10.707 where: short stacking energy: -10.707 Base-Backbone interact. energy: -0.000 local terms energy: -13.990775 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.398 flat angles P-C4'-P energy: 0.590 tors. eta vs tors. theta energy: -1.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -28.278219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.278219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.278219 (E_RNA) where: Base-Base interactions energy: -11.190 where: short stacking energy: -11.190 Base-Backbone interact. energy: -0.000 local terms energy: -17.087720 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -2.029 flat angles C4'-P-C4' energy: -4.098 flat angles P-C4'-P energy: -3.149 tors. eta vs tors. theta energy: -3.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -21.732356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.732356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.732356 (E_RNA) where: Base-Base interactions energy: -7.723 where: short stacking energy: -7.723 Base-Backbone interact. energy: -0.006 local terms energy: -14.003736 where: bonds (distance) C4'-P energy: -3.947 bonds (distance) P-C4' energy: -3.793 flat angles C4'-P-C4' energy: -2.254 flat angles P-C4'-P energy: -0.819 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: 7, replica: 4 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -21.730434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.730434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.730434 (E_RNA) where: Base-Base interactions energy: -3.343 where: short stacking energy: -3.343 Base-Backbone interact. energy: -0.000 local terms energy: -18.387476 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.172 flat angles P-C4'-P energy: -3.192 tors. eta vs tors. theta energy: -1.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -26.382721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.382721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.382721 (E_RNA) where: Base-Base interactions energy: -6.259 where: short stacking energy: -6.259 Base-Backbone interact. energy: -0.000 local terms energy: -20.123858 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -4.578 flat angles C4'-P-C4' energy: -3.293 flat angles P-C4'-P energy: -3.404 tors. eta vs tors. theta energy: -4.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -22.585459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.585459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.585459 (E_RNA) where: Base-Base interactions energy: -6.459 where: short stacking energy: -6.459 Base-Backbone interact. energy: -0.000 local terms energy: -16.126337 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -2.085 flat angles C4'-P-C4' energy: -4.700 flat angles P-C4'-P energy: -2.852 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: 10, replica: 3 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -20.926188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.926188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.926188 (E_RNA) where: Base-Base interactions energy: -4.736 where: short stacking energy: -4.736 Base-Backbone interact. energy: -0.000 local terms energy: -16.190392 where: bonds (distance) C4'-P energy: -3.939 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.413 flat angles P-C4'-P energy: -3.513 tors. eta vs tors. theta energy: -0.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -25.662205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.662205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.662205 (E_RNA) where: Base-Base interactions energy: -7.169 where: short stacking energy: -7.169 Base-Backbone interact. energy: -0.003 local terms energy: -18.490805 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.972 flat angles P-C4'-P energy: -2.237 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: 2, replica: 8 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -24.542605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.542605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.542605 (E_RNA) where: Base-Base interactions energy: -6.053 where: short stacking energy: -6.053 Base-Backbone interact. energy: -0.046 local terms energy: -18.443041 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.609 flat angles P-C4'-P energy: -3.042 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: 3, replica: 2 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -26.534243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.534243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.534243 (E_RNA) where: Base-Base interactions energy: -8.201 where: short stacking energy: -8.201 Base-Backbone interact. energy: -0.000 local terms energy: -18.333663 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.766 flat angles P-C4'-P energy: -2.357 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: 4, replica: 9 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -22.536448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.536448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.536448 (E_RNA) where: Base-Base interactions energy: -5.079 where: short stacking energy: -5.079 Base-Backbone interact. energy: -0.000 local terms energy: -17.457660 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.743 flat angles P-C4'-P energy: -3.254 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: 10 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -26.722953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.722953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.722953 (E_RNA) where: Base-Base interactions energy: -7.559 where: short stacking energy: -7.559 Base-Backbone interact. energy: -0.000 local terms energy: -19.163885 where: bonds (distance) C4'-P energy: -3.682 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.555 flat angles P-C4'-P energy: -3.492 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: 6, replica: 1 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -22.045601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.045601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.045601 (E_RNA) where: Base-Base interactions energy: -4.415 where: short stacking energy: -4.415 Base-Backbone interact. energy: -0.000 local terms energy: -17.630454 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.957 flat angles P-C4'-P energy: -3.292 tors. eta vs tors. theta energy: -1.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -20.814339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.814339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.814339 (E_RNA) where: Base-Base interactions energy: -3.829 where: short stacking energy: -3.829 Base-Backbone interact. energy: -0.076 local terms energy: -16.910234 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.638 flat angles P-C4'-P energy: -2.959 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: 8, replica: 4 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -19.728147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.728147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.728147 (E_RNA) where: Base-Base interactions energy: -3.826 where: short stacking energy: -3.826 Base-Backbone interact. energy: -0.000 local terms energy: -15.902536 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.378 flat angles P-C4'-P energy: -1.669 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: 9, replica: 3 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -19.757094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.757094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.757094 (E_RNA) where: Base-Base interactions energy: -5.228 where: short stacking energy: -5.228 Base-Backbone interact. energy: -0.072 local terms energy: -14.456928 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -3.790 flat angles C4'-P-C4' energy: -3.257 flat angles P-C4'-P energy: -3.184 tors. eta vs tors. theta energy: -0.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -22.819789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.819789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.819789 (E_RNA) where: Base-Base interactions energy: -6.791 where: short stacking energy: -6.791 Base-Backbone interact. energy: -0.000 local terms energy: -16.028208 where: bonds (distance) C4'-P energy: -3.566 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -2.789 flat angles P-C4'-P energy: -2.121 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: 1, replica: 7 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -33.241634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.241634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.241634 (E_RNA) where: Base-Base interactions energy: -12.344 where: short stacking energy: -12.344 Base-Backbone interact. energy: -0.000 local terms energy: -20.897719 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -4.118 flat angles P-C4'-P energy: -3.653 tors. eta vs tors. theta energy: -4.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -27.608646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.608646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.608646 (E_RNA) where: Base-Base interactions energy: -7.309 where: short stacking energy: -7.309 Base-Backbone interact. energy: -0.000 local terms energy: -20.299795 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.409 flat angles P-C4'-P energy: -2.573 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: 3, replica: 8 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -28.469026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.469026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.469026 (E_RNA) where: Base-Base interactions energy: -12.097 where: short stacking energy: -12.097 Base-Backbone interact. energy: -0.000 local terms energy: -16.371695 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -4.205 flat angles C4'-P-C4' energy: -4.093 flat angles P-C4'-P energy: -2.035 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: 4, replica: 10 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -24.536565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.536565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.536565 (E_RNA) where: Base-Base interactions energy: -9.123 where: short stacking energy: -9.123 Base-Backbone interact. energy: -0.031 local terms energy: -15.383143 where: bonds (distance) C4'-P energy: -4.009 bonds (distance) P-C4' energy: -3.360 flat angles C4'-P-C4' energy: -2.455 flat angles P-C4'-P energy: -2.325 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: 5, replica: 9 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -26.298326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.298326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.298326 (E_RNA) where: Base-Base interactions energy: -10.527 where: short stacking energy: -10.527 Base-Backbone interact. energy: -0.022 local terms energy: -15.749310 where: bonds (distance) C4'-P energy: -3.433 bonds (distance) P-C4' energy: -3.103 flat angles C4'-P-C4' energy: -3.695 flat angles P-C4'-P energy: -2.289 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: 6, replica: 6 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -24.299297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.299297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.299297 (E_RNA) where: Base-Base interactions energy: -8.946 where: short stacking energy: -8.946 Base-Backbone interact. energy: -0.050 local terms energy: -15.302854 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -2.881 flat angles P-C4'-P energy: -1.861 tors. eta vs tors. theta energy: -1.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -21.104785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.104785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.104785 (E_RNA) where: Base-Base interactions energy: -6.263 where: short stacking energy: -6.263 Base-Backbone interact. energy: -0.146 local terms energy: -14.695576 where: bonds (distance) C4'-P energy: -2.576 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -4.464 flat angles P-C4'-P energy: -2.055 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: 8, replica: 3 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -20.763616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.763616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.763616 (E_RNA) where: Base-Base interactions energy: -2.664 where: short stacking energy: -2.664 Base-Backbone interact. energy: -0.079 local terms energy: -18.021428 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -4.159 flat angles C4'-P-C4' energy: -4.614 flat angles P-C4'-P energy: -3.578 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: 9, replica: 4 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -26.223723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.223723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.223723 (E_RNA) where: Base-Base interactions energy: -8.541 where: short stacking energy: -8.541 Base-Backbone interact. energy: -0.008 local terms energy: -17.674697 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -3.126 flat angles P-C4'-P energy: -2.938 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: 10, replica: 5 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -21.320855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.320855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.320855 (E_RNA) where: Base-Base interactions energy: -5.591 where: short stacking energy: -5.591 Base-Backbone interact. energy: -0.088 local terms energy: -15.642124 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.042 flat angles P-C4'-P energy: -1.532 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: 2 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -29.774601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.774601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.774601 (E_RNA) where: Base-Base interactions energy: -10.398 where: short stacking energy: -10.398 Base-Backbone interact. energy: -0.000 local terms energy: -19.376794 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.738 flat angles P-C4'-P energy: -2.488 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: 2, replica: 7 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -28.250856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.250856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.250856 (E_RNA) where: Base-Base interactions energy: -8.341 where: short stacking energy: -8.341 Base-Backbone interact. energy: -0.000 local terms energy: -19.909389 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.082 flat angles P-C4'-P energy: -3.882 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: 3, replica: 10 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -28.649833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.649833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.649833 (E_RNA) where: Base-Base interactions energy: -10.377 where: short stacking energy: -10.377 Base-Backbone interact. energy: 0.223 local terms energy: -18.495184 where: bonds (distance) C4'-P energy: -2.846 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.051 flat angles P-C4'-P energy: -3.300 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: 8 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -23.963069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.963069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.963069 (E_RNA) where: Base-Base interactions energy: -9.021 where: short stacking energy: -9.021 Base-Backbone interact. energy: -0.000 local terms energy: -14.942101 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -3.220 flat angles P-C4'-P energy: -3.221 tors. eta vs tors. theta energy: 0.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -24.327835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.327835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.327835 (E_RNA) where: Base-Base interactions energy: -7.106 where: short stacking energy: -7.106 Base-Backbone interact. energy: -0.003 local terms energy: -17.219453 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.370 flat angles P-C4'-P energy: -3.799 tors. eta vs tors. theta energy: -0.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -24.376802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.376802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.376802 (E_RNA) where: Base-Base interactions energy: -6.369 where: short stacking energy: -6.369 Base-Backbone interact. energy: -0.057 local terms energy: -17.950543 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.164 flat angles P-C4'-P energy: -2.504 tors. eta vs tors. theta energy: -2.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -24.837396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.837396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.837396 (E_RNA) where: Base-Base interactions energy: -4.879 where: short stacking energy: -4.879 Base-Backbone interact. energy: -0.000 local terms energy: -19.958772 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.287 flat angles P-C4'-P energy: -3.568 tors. eta vs tors. theta energy: -3.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -22.879657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.879657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.879657 (E_RNA) where: Base-Base interactions energy: -6.131 where: short stacking energy: -6.131 Base-Backbone interact. energy: -0.009 local terms energy: -16.739553 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -3.984 flat angles C4'-P-C4' energy: -3.002 flat angles P-C4'-P energy: -3.385 tors. eta vs tors. theta energy: -2.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -20.920116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.920116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.920116 (E_RNA) where: Base-Base interactions energy: -5.831 where: short stacking energy: -5.831 Base-Backbone interact. energy: -0.000 local terms energy: -15.088641 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -4.441 flat angles C4'-P-C4' energy: -4.398 flat angles P-C4'-P energy: -1.226 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: 4 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -19.123343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.123343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.123343 (E_RNA) where: Base-Base interactions energy: -2.744 where: short stacking energy: -2.744 Base-Backbone interact. energy: -0.000 local terms energy: -16.378912 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -2.457 flat angles P-C4'-P energy: -2.999 tors. eta vs tors. theta energy: -1.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -27.834143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.834143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.834143 (E_RNA) where: Base-Base interactions energy: -8.495 where: short stacking energy: -8.495 Base-Backbone interact. energy: -0.000 local terms energy: -19.339148 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -2.932 flat angles P-C4'-P energy: -3.551 tors. eta vs tors. theta energy: -3.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -25.666148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.666148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.666148 (E_RNA) where: Base-Base interactions energy: -8.237 where: short stacking energy: -8.237 Base-Backbone interact. energy: -0.050 local terms energy: -17.378318 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.420 flat angles C4'-P-C4' energy: -3.565 flat angles P-C4'-P energy: -2.867 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: 3, replica: 7 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -28.417571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.417571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.417571 (E_RNA) where: Base-Base interactions energy: -10.050 where: short stacking energy: -10.050 Base-Backbone interact. energy: -0.000 local terms energy: -18.367290 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -3.796 flat angles C4'-P-C4' energy: -4.498 flat angles P-C4'-P energy: -1.691 tors. eta vs tors. theta energy: -3.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -24.242855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.242855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.242855 (E_RNA) where: Base-Base interactions energy: -7.205 where: short stacking energy: -7.205 Base-Backbone interact. energy: -0.001 local terms energy: -17.037049 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.505 flat angles P-C4'-P energy: -3.490 tors. eta vs tors. theta energy: 0.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -24.475210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.475210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.475210 (E_RNA) where: Base-Base interactions energy: -7.962 where: short stacking energy: -7.962 Base-Backbone interact. energy: -0.032 local terms energy: -16.481176 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.184 flat angles P-C4'-P energy: -1.546 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: 6, replica: 3 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -25.971168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.971168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.971168 (E_RNA) where: Base-Base interactions energy: -9.999 where: short stacking energy: -9.999 Base-Backbone interact. energy: -0.000 local terms energy: -15.971741 where: bonds (distance) C4'-P energy: -4.535 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -2.091 flat angles P-C4'-P energy: -2.034 tors. eta vs tors. theta energy: -2.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -23.750368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.750368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.750368 (E_RNA) where: Base-Base interactions energy: -7.823 where: short stacking energy: -7.856 Base-Backbone interact. energy: -0.001 local terms energy: -15.926146 where: bonds (distance) C4'-P energy: -3.152 bonds (distance) P-C4' energy: -2.481 flat angles C4'-P-C4' energy: -4.455 flat angles P-C4'-P energy: -3.093 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: 8, replica: 1 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -21.303739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.303739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.303739 (E_RNA) where: Base-Base interactions energy: -7.120 where: short stacking energy: -7.120 Base-Backbone interact. energy: -0.001 local terms energy: -14.182808 where: bonds (distance) C4'-P energy: -1.136 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.221 flat angles P-C4'-P energy: -2.274 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: 5 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -19.423542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.423542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.423542 (E_RNA) where: Base-Base interactions energy: -2.841 where: short stacking energy: -2.841 Base-Backbone interact. energy: -0.000 local terms energy: -16.582213 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.222 flat angles P-C4'-P energy: -2.654 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: 10, replica: 4 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -20.861157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.861157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.861157 (E_RNA) where: Base-Base interactions energy: -4.007 where: short stacking energy: -4.007 Base-Backbone interact. energy: -0.111 local terms energy: -16.743776 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.123 flat angles P-C4'-P energy: -3.319 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: 1, replica: 10 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -26.762423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.762423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.762423 (E_RNA) where: Base-Base interactions energy: -7.545 where: short stacking energy: -7.545 Base-Backbone interact. energy: -0.003 local terms energy: -19.214944 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.798 flat angles P-C4'-P energy: -3.681 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: 2, replica: 2 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -28.544436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.544436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.544436 (E_RNA) where: Base-Base interactions energy: -11.197 where: short stacking energy: -11.197 Base-Backbone interact. energy: -0.000 local terms energy: -17.347062 where: bonds (distance) C4'-P energy: -2.928 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -3.953 flat angles P-C4'-P energy: -2.371 tors. eta vs tors. theta energy: -3.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -29.541999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.541999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.541999 (E_RNA) where: Base-Base interactions energy: -10.589 where: short stacking energy: -10.589 Base-Backbone interact. energy: -0.000 local terms energy: -18.952883 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.428 flat angles P-C4'-P energy: -3.882 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: 4, replica: 7 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -30.474942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.474942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.474942 (E_RNA) where: Base-Base interactions energy: -11.878 where: short stacking energy: -11.878 Base-Backbone interact. energy: -0.000 local terms energy: -18.596497 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.071 flat angles P-C4'-P energy: -2.466 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: 3 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -28.287755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.287755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.287755 (E_RNA) where: Base-Base interactions energy: -9.382 where: short stacking energy: -9.382 Base-Backbone interact. energy: -0.000 local terms energy: -18.906103 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -4.555 flat angles P-C4'-P energy: -3.140 tors. eta vs tors. theta energy: -2.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -24.113610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.113610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.113610 (E_RNA) where: Base-Base interactions energy: -11.148 where: short stacking energy: -11.148 Base-Backbone interact. energy: -0.001 local terms energy: -12.964500 where: bonds (distance) C4'-P energy: -1.795 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.004 flat angles P-C4'-P energy: -0.835 tors. eta vs tors. theta energy: -2.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -21.107226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.107226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.107226 (E_RNA) where: Base-Base interactions energy: -5.402 where: short stacking energy: -5.402 Base-Backbone interact. energy: -0.000 local terms energy: -15.705253 where: bonds (distance) C4'-P energy: -2.457 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.751 flat angles P-C4'-P energy: -2.058 tors. eta vs tors. theta energy: -1.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -21.842506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.842506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.842506 (E_RNA) where: Base-Base interactions energy: -2.029 where: short stacking energy: -2.029 Base-Backbone interact. energy: -0.000 local terms energy: -19.813519 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -4.148 flat angles P-C4'-P energy: -3.198 tors. eta vs tors. theta energy: -3.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -27.046334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.046334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.046334 (E_RNA) where: Base-Base interactions energy: -7.913 where: short stacking energy: -7.913 Base-Backbone interact. energy: -0.000 local terms energy: -19.133683 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.230 flat angles P-C4'-P energy: -2.616 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: 10, replica: 5 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -21.340124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.340124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.340124 (E_RNA) where: Base-Base interactions energy: -4.060 where: short stacking energy: -4.060 Base-Backbone interact. energy: -0.000 local terms energy: -17.279669 where: bonds (distance) C4'-P energy: -3.406 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.272 flat angles P-C4'-P energy: -3.450 tors. eta vs tors. theta energy: -2.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -26.134119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.134119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.134119 (E_RNA) where: Base-Base interactions energy: -7.861 where: short stacking energy: -7.861 Base-Backbone interact. energy: -0.014 local terms energy: -18.258866 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.729 flat angles P-C4'-P energy: -3.574 tors. eta vs tors. theta energy: -0.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -27.180100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.180100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.180100 (E_RNA) where: Base-Base interactions energy: -8.602 where: short stacking energy: -8.602 Base-Backbone interact. energy: -0.000 local terms energy: -18.578016 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -3.811 flat angles C4'-P-C4' energy: -4.784 flat angles P-C4'-P energy: -3.243 tors. eta vs tors. theta energy: -2.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -25.572778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.572778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.572778 (E_RNA) where: Base-Base interactions energy: -5.561 where: short stacking energy: -6.691 Base-Backbone interact. energy: -0.017 local terms energy: -19.995123 where: bonds (distance) C4'-P energy: -3.566 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.713 flat angles P-C4'-P energy: -3.907 tors. eta vs tors. theta energy: -2.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -25.048802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.048802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.048802 (E_RNA) where: Base-Base interactions energy: -7.348 where: short stacking energy: -7.348 Base-Backbone interact. energy: -0.001 local terms energy: -17.700363 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -3.991 flat angles C4'-P-C4' energy: -4.506 flat angles P-C4'-P energy: -1.790 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: 5, replica: 3 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -23.694547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.694547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.694547 (E_RNA) where: Base-Base interactions energy: -7.407 where: short stacking energy: -7.407 Base-Backbone interact. energy: -0.000 local terms energy: -16.287326 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.118 flat angles P-C4'-P energy: -3.055 tors. eta vs tors. theta energy: -0.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -22.181801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.181801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.181801 (E_RNA) where: Base-Base interactions energy: -7.544 where: short stacking energy: -7.544 Base-Backbone interact. energy: -0.027 local terms energy: -14.610088 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -3.364 flat angles C4'-P-C4' energy: -2.626 flat angles P-C4'-P energy: -3.545 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: 8 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -22.174357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.174357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.174357 (E_RNA) where: Base-Base interactions energy: -4.547 where: short stacking energy: -4.547 Base-Backbone interact. energy: -0.000 local terms energy: -17.627728 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -3.905 flat angles P-C4'-P energy: -2.746 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: 8, replica: 4 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -22.585156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.585156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.585156 (E_RNA) where: Base-Base interactions energy: -7.603 where: short stacking energy: -7.603 Base-Backbone interact. energy: -0.000 local terms energy: -14.982509 where: bonds (distance) C4'-P energy: -0.862 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.627 flat angles P-C4'-P energy: -3.070 tors. eta vs tors. theta energy: -2.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -24.202214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.202214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.202214 (E_RNA) where: Base-Base interactions energy: -6.754 where: short stacking energy: -6.754 Base-Backbone interact. energy: -0.074 local terms energy: -17.373707 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.828 flat angles P-C4'-P energy: -2.738 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: 10, replica: 5 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -19.881504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.881504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.881504 (E_RNA) where: Base-Base interactions energy: -4.449 where: short stacking energy: -4.449 Base-Backbone interact. energy: -0.000 local terms energy: -15.432517 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -3.790 flat angles C4'-P-C4' energy: -4.905 flat angles P-C4'-P energy: 0.906 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: 1, replica: 9 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -27.332077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.332077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.332077 (E_RNA) where: Base-Base interactions energy: -8.951 where: short stacking energy: -8.560 Base-Backbone interact. energy: -0.100 local terms energy: -18.280648 where: bonds (distance) C4'-P energy: -3.645 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.851 flat angles P-C4'-P energy: -2.498 tors. eta vs tors. theta energy: -2.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -27.695578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.695578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.695578 (E_RNA) where: Base-Base interactions energy: -9.012 where: short stacking energy: -9.012 Base-Backbone interact. energy: -0.000 local terms energy: -18.684004 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -4.731 flat angles P-C4'-P energy: -2.865 tors. eta vs tors. theta energy: -1.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -26.480137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.480137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.480137 (E_RNA) where: Base-Base interactions energy: -7.793 where: short stacking energy: -7.793 Base-Backbone interact. energy: -0.000 local terms energy: -18.686959 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.873 flat angles P-C4'-P energy: -2.753 tors. eta vs tors. theta energy: -1.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -26.985012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.985012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.985012 (E_RNA) where: Base-Base interactions energy: -11.124 where: short stacking energy: -11.124 Base-Backbone interact. energy: -0.004 local terms energy: -15.857365 where: bonds (distance) C4'-P energy: -3.070 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.731 flat angles P-C4'-P energy: -1.196 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: 5, replica: 1 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -24.741990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.741990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.741990 (E_RNA) where: Base-Base interactions energy: -6.443 where: short stacking energy: -6.443 Base-Backbone interact. energy: -0.000 local terms energy: -18.298983 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -1.322 flat angles P-C4'-P energy: -3.326 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: 3 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -20.409920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.409920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.409920 (E_RNA) where: Base-Base interactions energy: -4.076 where: short stacking energy: -4.076 Base-Backbone interact. energy: -0.091 local terms energy: -16.242428 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -3.379 flat angles P-C4'-P energy: -3.567 tors. eta vs tors. theta energy: -0.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -22.283747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.283747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.283747 (E_RNA) where: Base-Base interactions energy: -5.516 where: short stacking energy: -5.516 Base-Backbone interact. energy: -0.000 local terms energy: -16.767446 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.222 flat angles P-C4'-P energy: -2.774 tors. eta vs tors. theta energy: -0.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -25.411310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.411310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.411310 (E_RNA) where: Base-Base interactions energy: -7.895 where: short stacking energy: -7.895 Base-Backbone interact. energy: -0.000 local terms energy: -17.515991 where: bonds (distance) C4'-P energy: -3.044 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.066 flat angles P-C4'-P energy: -2.661 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: 9, replica: 5 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -20.981266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.981266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.981266 (E_RNA) where: Base-Base interactions energy: -2.754 where: short stacking energy: -2.754 Base-Backbone interact. energy: -0.857 local terms energy: -17.370450 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -3.347 flat angles P-C4'-P energy: -3.618 tors. eta vs tors. theta energy: -1.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -20.690146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.690146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.690146 (E_RNA) where: Base-Base interactions energy: -6.745 where: short stacking energy: -6.745 Base-Backbone interact. energy: -0.049 local terms energy: -13.896733 where: bonds (distance) C4'-P energy: -3.070 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -2.005 flat angles P-C4'-P energy: -3.036 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: 1, replica: 9 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -27.962713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.962713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.962713 (E_RNA) where: Base-Base interactions energy: -7.825 where: short stacking energy: -7.825 Base-Backbone interact. energy: -0.000 local terms energy: -20.137765 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.854 flat angles P-C4'-P energy: -3.674 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: 2, replica: 7 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -29.024676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.024676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.024676 (E_RNA) where: Base-Base interactions energy: -10.573 where: short stacking energy: -10.573 Base-Backbone interact. energy: -0.101 local terms energy: -18.350604 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.854 flat angles P-C4'-P energy: -3.072 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: 3, replica: 10 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -29.397057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.397057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.397057 (E_RNA) where: Base-Base interactions energy: -11.592 where: short stacking energy: -11.592 Base-Backbone interact. energy: -0.000 local terms energy: -17.804903 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.578 flat angles P-C4'-P energy: -2.678 tors. eta vs tors. theta energy: -3.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -23.189699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.189699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.189699 (E_RNA) where: Base-Base interactions energy: -5.922 where: short stacking energy: -5.922 Base-Backbone interact. energy: -0.000 local terms energy: -17.267808 where: bonds (distance) C4'-P energy: -3.277 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.464 flat angles P-C4'-P energy: -2.782 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: 5, replica: 2 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -23.793176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.793176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.793176 (E_RNA) where: Base-Base interactions energy: -6.550 where: short stacking energy: -6.550 Base-Backbone interact. energy: -0.000 local terms energy: -17.243116 where: bonds (distance) C4'-P energy: -3.595 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -3.655 flat angles P-C4'-P energy: -2.194 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: 6, replica: 4 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -22.626817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.626817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.626817 (E_RNA) where: Base-Base interactions energy: -6.281 where: short stacking energy: -6.281 Base-Backbone interact. energy: -0.249 local terms energy: -16.097452 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.494 flat angles P-C4'-P energy: -1.697 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: 7, replica: 3 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -26.352467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.352467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.352467 (E_RNA) where: Base-Base interactions energy: -9.993 where: short stacking energy: -9.993 Base-Backbone interact. energy: -0.000 local terms energy: -16.359499 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -2.389 flat angles P-C4'-P energy: -2.752 tors. eta vs tors. theta energy: -1.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -21.152891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.152891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.152891 (E_RNA) where: Base-Base interactions energy: -4.358 where: short stacking energy: -4.358 Base-Backbone interact. energy: -0.000 local terms energy: -16.795172 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -3.811 flat angles C4'-P-C4' energy: -3.416 flat angles P-C4'-P energy: -3.594 tors. eta vs tors. theta energy: -1.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -26.794155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.794155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.794155 (E_RNA) where: Base-Base interactions energy: -8.658 where: short stacking energy: -8.658 Base-Backbone interact. energy: -0.003 local terms energy: -18.133991 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.509 flat angles P-C4'-P energy: -2.752 tors. eta vs tors. theta energy: -1.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -18.909101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.909101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.909101 (E_RNA) where: Base-Base interactions energy: -4.012 where: short stacking energy: -4.012 Base-Backbone interact. energy: -0.000 local terms energy: -14.897137 where: bonds (distance) C4'-P energy: -4.341 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -2.627 flat angles P-C4'-P energy: -1.423 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: 1, replica: 7 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -31.153859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.153859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.153859 (E_RNA) where: Base-Base interactions energy: -12.525 where: short stacking energy: -12.525 Base-Backbone interact. energy: -0.000 local terms energy: -18.629212 where: bonds (distance) C4'-P energy: -3.309 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -3.708 flat angles P-C4'-P energy: -2.605 tors. eta vs tors. theta energy: -4.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -30.251028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.251028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.251028 (E_RNA) where: Base-Base interactions energy: -12.595 where: short stacking energy: -12.595 Base-Backbone interact. energy: -0.000 local terms energy: -17.656233 where: bonds (distance) C4'-P energy: -2.660 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -3.758 flat angles P-C4'-P energy: -3.267 tors. eta vs tors. theta energy: -3.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -22.577065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.577065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.577065 (E_RNA) where: Base-Base interactions energy: -6.248 where: short stacking energy: -6.248 Base-Backbone interact. energy: -0.004 local terms energy: -16.325635 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.238 flat angles P-C4'-P energy: -2.130 tors. eta vs tors. theta energy: -1.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -25.191300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.191300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.191300 (E_RNA) where: Base-Base interactions energy: -8.593 where: short stacking energy: -8.593 Base-Backbone interact. energy: -0.000 local terms energy: -16.598413 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -3.793 flat angles C4'-P-C4' energy: -1.364 flat angles P-C4'-P energy: -3.751 tors. eta vs tors. theta energy: -3.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -27.036436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.036436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.036436 (E_RNA) where: Base-Base interactions energy: -9.814 where: short stacking energy: -9.814 Base-Backbone interact. energy: 0.074 local terms energy: -17.295973 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.123 flat angles P-C4'-P energy: -2.945 tors. eta vs tors. theta energy: -1.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -22.448030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.448030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.448030 (E_RNA) where: Base-Base interactions energy: -6.435 where: short stacking energy: -6.435 Base-Backbone interact. energy: -0.000 local terms energy: -16.012888 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.235 flat angles P-C4'-P energy: -3.071 tors. eta vs tors. theta energy: -1.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -21.169398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.169398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.169398 (E_RNA) where: Base-Base interactions energy: -7.161 where: short stacking energy: -7.161 Base-Backbone interact. energy: -0.000 local terms energy: -14.008894 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -3.345 flat angles C4'-P-C4' energy: -2.840 flat angles P-C4'-P energy: -1.757 tors. eta vs tors. theta energy: -1.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -21.596356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.596356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.596356 (E_RNA) where: Base-Base interactions energy: -4.385 where: short stacking energy: -4.441 Base-Backbone interact. energy: -0.019 local terms energy: -17.191883 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.750 flat angles P-C4'-P energy: -3.367 tors. eta vs tors. theta energy: 0.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -21.135734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.135734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.135734 (E_RNA) where: Base-Base interactions energy: -5.890 where: short stacking energy: -5.890 Base-Backbone interact. energy: -0.000 local terms energy: -15.246157 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -4.156 flat angles C4'-P-C4' energy: -4.154 flat angles P-C4'-P energy: -2.202 tors. eta vs tors. theta energy: -1.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -21.413632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.413632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.413632 (E_RNA) where: Base-Base interactions energy: -8.139 where: short stacking energy: -8.139 Base-Backbone interact. energy: -0.000 local terms energy: -13.274769 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -4.110 flat angles C4'-P-C4' energy: -2.170 flat angles P-C4'-P energy: -2.788 tors. eta vs tors. theta energy: -0.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -26.200142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.200142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.200142 (E_RNA) where: Base-Base interactions energy: -6.679 where: short stacking energy: -6.679 Base-Backbone interact. energy: -0.000 local terms energy: -19.521049 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.890 flat angles P-C4'-P energy: -3.388 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: 2, replica: 9 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -25.070425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.070425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.070425 (E_RNA) where: Base-Base interactions energy: -7.195 where: short stacking energy: -7.195 Base-Backbone interact. energy: -0.000 local terms energy: -17.874831 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.305 flat angles P-C4'-P energy: -3.172 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: 3, replica: 1 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -22.314440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.314440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.314440 (E_RNA) where: Base-Base interactions energy: -3.784 where: short stacking energy: -3.784 Base-Backbone interact. energy: -0.099 local terms energy: -18.431586 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.284 flat angles P-C4'-P energy: -4.055 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: 4, replica: 4 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -25.664071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.664071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.664071 (E_RNA) where: Base-Base interactions energy: -5.887 where: short stacking energy: -5.887 Base-Backbone interact. energy: -0.074 local terms energy: -19.703353 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.683 flat angles P-C4'-P energy: -3.853 tors. eta vs tors. theta energy: -1.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -24.778765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.778765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.778765 (E_RNA) where: Base-Base interactions energy: -9.367 where: short stacking energy: -9.367 Base-Backbone interact. energy: -0.000 local terms energy: -15.411546 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -2.265 flat angles P-C4'-P energy: -3.074 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: 6, replica: 2 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -23.612629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.612629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.612629 (E_RNA) where: Base-Base interactions energy: -6.291 where: short stacking energy: -6.291 Base-Backbone interact. energy: -0.001 local terms energy: -17.319975 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.430 flat angles P-C4'-P energy: -3.957 tors. eta vs tors. theta energy: -0.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -22.997092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.997092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.997092 (E_RNA) where: Base-Base interactions energy: -9.375 where: short stacking energy: -9.375 Base-Backbone interact. energy: -0.000 local terms energy: -13.621680 where: bonds (distance) C4'-P energy: -2.387 bonds (distance) P-C4' energy: -4.867 flat angles C4'-P-C4' energy: -2.814 flat angles P-C4'-P energy: -2.709 tors. eta vs tors. theta energy: -0.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -22.272306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.272306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.272306 (E_RNA) where: Base-Base interactions energy: -7.711 where: short stacking energy: -7.711 Base-Backbone interact. energy: -0.000 local terms energy: -14.561270 where: bonds (distance) C4'-P energy: -2.859 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.484 flat angles P-C4'-P energy: -1.365 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: 9, replica: 3 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -18.664684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.664684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.664684 (E_RNA) where: Base-Base interactions energy: -2.411 where: short stacking energy: -2.411 Base-Backbone interact. energy: -0.000 local terms energy: -16.253312 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -2.043 flat angles P-C4'-P energy: -2.533 tors. eta vs tors. theta energy: -2.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -25.360203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.360203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.360203 (E_RNA) where: Base-Base interactions energy: -7.553 where: short stacking energy: -7.553 Base-Backbone interact. energy: -0.000 local terms energy: -17.807259 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.757 flat angles P-C4'-P energy: -2.372 tors. eta vs tors. theta energy: -2.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -26.996794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.996794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.996794 (E_RNA) where: Base-Base interactions energy: -7.031 where: short stacking energy: -7.031 Base-Backbone interact. energy: -0.000 local terms energy: -19.965608 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.716 flat angles P-C4'-P energy: -1.873 tors. eta vs tors. theta energy: -3.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -26.944835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.944835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.944835 (E_RNA) where: Base-Base interactions energy: -7.354 where: short stacking energy: -7.354 Base-Backbone interact. energy: -0.000 local terms energy: -19.591093 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.320 flat angles P-C4'-P energy: -3.956 tors. eta vs tors. theta energy: -2.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -27.448125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.448125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.448125 (E_RNA) where: Base-Base interactions energy: -8.112 where: short stacking energy: -8.112 Base-Backbone interact. energy: -0.000 local terms energy: -19.335866 where: bonds (distance) C4'-P energy: -3.947 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -4.291 flat angles P-C4'-P energy: -3.240 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: 4, replica: 1 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -23.845098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.845098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.845098 (E_RNA) where: Base-Base interactions energy: -9.382 where: short stacking energy: -9.382 Base-Backbone interact. energy: -0.050 local terms energy: -14.412310 where: bonds (distance) C4'-P energy: -3.161 bonds (distance) P-C4' energy: -3.751 flat angles C4'-P-C4' energy: -3.639 flat angles P-C4'-P energy: -2.820 tors. eta vs tors. theta energy: -1.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -23.252704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.252704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.252704 (E_RNA) where: Base-Base interactions energy: -6.717 where: short stacking energy: -6.717 Base-Backbone interact. energy: -0.000 local terms energy: -16.535603 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.356 flat angles P-C4'-P energy: -2.839 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: 6, replica: 10 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -23.843821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.843821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.843821 (E_RNA) where: Base-Base interactions energy: -7.579 where: short stacking energy: -7.579 Base-Backbone interact. energy: -0.000 local terms energy: -16.264459 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -1.262 flat angles C4'-P-C4' energy: -3.801 flat angles P-C4'-P energy: -2.880 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: 364 Temperature: 1.200000 Total energy: -26.343515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.343515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.343515 (E_RNA) where: Base-Base interactions energy: -8.731 where: short stacking energy: -8.731 Base-Backbone interact. energy: -0.000 local terms energy: -17.612183 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.667 flat angles P-C4'-P energy: -3.303 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: 8 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -21.828225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.828225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.828225 (E_RNA) where: Base-Base interactions energy: -4.644 where: short stacking energy: -4.644 Base-Backbone interact. energy: -0.000 local terms energy: -17.184300 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.621 flat angles P-C4'-P energy: -3.030 tors. eta vs tors. theta energy: -1.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -23.916202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.916202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.916202 (E_RNA) where: Base-Base interactions energy: -7.277 where: short stacking energy: -7.277 Base-Backbone interact. energy: 0.931 local terms energy: -17.569573 where: bonds (distance) C4'-P energy: -2.928 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -4.502 flat angles P-C4'-P energy: -3.208 tors. eta vs tors. theta energy: -2.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -22.906396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.906396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.906396 (E_RNA) where: Base-Base interactions energy: -10.911 where: short stacking energy: -10.911 Base-Backbone interact. energy: -0.000 local terms energy: -11.994997 where: bonds (distance) C4'-P energy: -1.252 bonds (distance) P-C4' energy: -3.811 flat angles C4'-P-C4' energy: -3.722 flat angles P-C4'-P energy: -0.840 tors. eta vs tors. theta energy: -2.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -30.198770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.198770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.198770 (E_RNA) where: Base-Base interactions energy: -11.552 where: short stacking energy: -11.552 Base-Backbone interact. energy: -0.000 local terms energy: -18.646282 where: bonds (distance) C4'-P energy: -3.451 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.468 flat angles P-C4'-P energy: -3.614 tors. eta vs tors. theta energy: -1.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -26.540934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.540934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.540934 (E_RNA) where: Base-Base interactions energy: -7.651 where: short stacking energy: -7.430 Base-Backbone interact. energy: -0.003 local terms energy: -18.886850 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -4.633 flat angles P-C4'-P energy: -3.824 tors. eta vs tors. theta energy: -2.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -25.897451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.897451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.897451 (E_RNA) where: Base-Base interactions energy: -7.341 where: short stacking energy: -7.341 Base-Backbone interact. energy: -0.000 local terms energy: -18.556481 where: bonds (distance) C4'-P energy: -4.009 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -4.188 flat angles P-C4'-P energy: -2.744 tors. eta vs tors. theta energy: -3.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -26.540269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.540269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.540269 (E_RNA) where: Base-Base interactions energy: -8.461 where: short stacking energy: -8.652 Base-Backbone interact. energy: -0.775 local terms energy: -17.303899 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.460 flat angles P-C4'-P energy: -1.140 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: 5, replica: 1 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -23.993694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.993694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.993694 (E_RNA) where: Base-Base interactions energy: -7.951 where: short stacking energy: -7.951 Base-Backbone interact. energy: -0.215 local terms energy: -15.828236 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -3.741 flat angles P-C4'-P energy: -0.814 tors. eta vs tors. theta energy: -2.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -23.530816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.530816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.530816 (E_RNA) where: Base-Base interactions energy: -6.786 where: short stacking energy: -6.786 Base-Backbone interact. energy: -0.008 local terms energy: -16.736749 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -3.420 flat angles C4'-P-C4' energy: -3.447 flat angles P-C4'-P energy: -3.693 tors. eta vs tors. theta energy: -2.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -25.405844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.405844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.405844 (E_RNA) where: Base-Base interactions energy: -7.422 where: short stacking energy: -7.422 Base-Backbone interact. energy: -0.000 local terms energy: -17.983765 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -2.407 flat angles P-C4'-P energy: -2.802 tors. eta vs tors. theta energy: -3.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -21.012436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.012436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.012436 (E_RNA) where: Base-Base interactions energy: -4.248 where: short stacking energy: -4.248 Base-Backbone interact. energy: -0.000 local terms energy: -16.764246 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.780 flat angles P-C4'-P energy: -2.897 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: 9, replica: 8 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -20.888394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.888394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.888394 (E_RNA) where: Base-Base interactions energy: -5.482 where: short stacking energy: -5.482 Base-Backbone interact. energy: -0.000 local terms energy: -15.406336 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.572 flat angles C4'-P-C4' energy: -1.190 flat angles P-C4'-P energy: -1.605 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: 3 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -19.656199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.656199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.656199 (E_RNA) where: Base-Base interactions energy: -3.636 where: short stacking energy: -3.636 Base-Backbone interact. energy: -0.000 local terms energy: -16.019782 where: bonds (distance) C4'-P energy: -3.024 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.360 flat angles P-C4'-P energy: -2.889 tors. eta vs tors. theta energy: -0.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -30.381972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.381972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.381972 (E_RNA) where: Base-Base interactions energy: -11.587 where: short stacking energy: -11.587 Base-Backbone interact. energy: -0.000 local terms energy: -18.794747 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.508 flat angles P-C4'-P energy: -1.525 tors. eta vs tors. theta energy: -4.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -25.860754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.860754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.860754 (E_RNA) where: Base-Base interactions energy: -11.264 where: short stacking energy: -11.264 Base-Backbone interact. energy: -0.039 local terms energy: -14.557911 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.658 flat angles P-C4'-P energy: -1.843 tors. eta vs tors. theta energy: -0.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -21.811129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.811129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.811129 (E_RNA) where: Base-Base interactions energy: -7.059 where: short stacking energy: -7.059 Base-Backbone interact. energy: -0.020 local terms energy: -14.732044 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -2.975 flat angles P-C4'-P energy: -3.271 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: 4, replica: 7 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -23.647508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.647508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.647508 (E_RNA) where: Base-Base interactions energy: -7.254 where: short stacking energy: -7.254 Base-Backbone interact. energy: -0.000 local terms energy: -16.393414 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.008 flat angles P-C4'-P energy: -2.144 tors. eta vs tors. theta energy: -1.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -27.199668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.199668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.199668 (E_RNA) where: Base-Base interactions energy: -9.974 where: short stacking energy: -9.974 Base-Backbone interact. energy: -0.003 local terms energy: -17.223142 where: bonds (distance) C4'-P energy: -2.456 bonds (distance) P-C4' energy: -3.941 flat angles C4'-P-C4' energy: -4.570 flat angles P-C4'-P energy: -3.976 tors. eta vs tors. theta energy: -2.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -20.786565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.786565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.786565 (E_RNA) where: Base-Base interactions energy: -4.210 where: short stacking energy: -4.210 Base-Backbone interact. energy: -0.006 local terms energy: -16.570089 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -3.550 flat angles P-C4'-P energy: -3.370 tors. eta vs tors. theta energy: -0.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -21.787950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.787950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.787950 (E_RNA) where: Base-Base interactions energy: -6.636 where: short stacking energy: -6.636 Base-Backbone interact. energy: 1.406 local terms energy: -16.558302 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.861 flat angles P-C4'-P energy: -3.139 tors. eta vs tors. theta energy: -0.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -24.983963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.983963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.983963 (E_RNA) where: Base-Base interactions energy: -9.699 where: short stacking energy: -9.699 Base-Backbone interact. energy: -0.000 local terms energy: -15.284974 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -3.128 flat angles C4'-P-C4' energy: -3.148 flat angles P-C4'-P energy: -2.088 tors. eta vs tors. theta energy: -2.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -21.316760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.316760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.316760 (E_RNA) where: Base-Base interactions energy: -4.746 where: short stacking energy: -4.746 Base-Backbone interact. energy: -0.000 local terms energy: -16.570455 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -2.714 flat angles P-C4'-P energy: -2.294 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: 10, replica: 8 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -25.478165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.478165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.478165 (E_RNA) where: Base-Base interactions energy: -7.547 where: short stacking energy: -7.742 Base-Backbone interact. energy: -0.000 local terms energy: -17.931389 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -3.239 flat angles P-C4'-P energy: -3.506 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: 1, replica: 9 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -29.109062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.109062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.109062 (E_RNA) where: Base-Base interactions energy: -11.225 where: short stacking energy: -11.225 Base-Backbone interact. energy: -0.000 local terms energy: -17.883936 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.067 flat angles P-C4'-P energy: -2.828 tors. eta vs tors. theta energy: -3.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -27.908384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.908384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.908384 (E_RNA) where: Base-Base interactions energy: -8.540 where: short stacking energy: -8.540 Base-Backbone interact. energy: -0.000 local terms energy: -19.368703 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -3.631 flat angles C4'-P-C4' energy: -4.279 flat angles P-C4'-P energy: -1.996 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: 3, replica: 4 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -26.342218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.342218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.342218 (E_RNA) where: Base-Base interactions energy: -8.186 where: short stacking energy: -8.186 Base-Backbone interact. energy: -0.001 local terms energy: -18.155924 where: bonds (distance) C4'-P energy: -3.799 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.240 flat angles P-C4'-P energy: -2.424 tors. eta vs tors. theta energy: -2.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -27.503933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.503933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.503933 (E_RNA) where: Base-Base interactions energy: -9.479 where: short stacking energy: -9.479 Base-Backbone interact. energy: -0.000 local terms energy: -18.024670 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -4.839 flat angles C4'-P-C4' energy: -3.088 flat angles P-C4'-P energy: -1.809 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: 7 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -23.404351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.404351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.404351 (E_RNA) where: Base-Base interactions energy: -6.236 where: short stacking energy: -6.236 Base-Backbone interact. energy: -0.000 local terms energy: -17.168491 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -4.205 flat angles C4'-P-C4' energy: -4.530 flat angles P-C4'-P energy: -3.339 tors. eta vs tors. theta energy: -1.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -23.691543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.691543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.691543 (E_RNA) where: Base-Base interactions energy: -7.797 where: short stacking energy: -7.797 Base-Backbone interact. energy: -0.011 local terms energy: -15.883390 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -4.624 flat angles P-C4'-P energy: -1.542 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: 7, replica: 6 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -23.082204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.082204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.082204 (E_RNA) where: Base-Base interactions energy: -4.466 where: short stacking energy: -4.466 Base-Backbone interact. energy: -0.000 local terms energy: -18.616170 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.688 flat angles P-C4'-P energy: -2.949 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: 3 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -20.113595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.113595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.113595 (E_RNA) where: Base-Base interactions energy: -10.058 where: short stacking energy: -10.058 Base-Backbone interact. energy: -0.007 local terms energy: -10.048667 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: 0.223 flat angles P-C4'-P energy: -1.309 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: 9, replica: 10 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -21.632362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.632362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.632362 (E_RNA) where: Base-Base interactions energy: -7.441 where: short stacking energy: -7.441 Base-Backbone interact. energy: -0.003 local terms energy: -14.188758 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -3.818 flat angles C4'-P-C4' energy: -3.154 flat angles P-C4'-P energy: -3.994 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: 10, replica: 8 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -19.950765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.950765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.950765 (E_RNA) where: Base-Base interactions energy: -3.677 where: short stacking energy: -3.677 Base-Backbone interact. energy: -0.018 local terms energy: -16.256239 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -3.786 flat angles C4'-P-C4' energy: -4.697 flat angles P-C4'-P energy: -1.668 tors. eta vs tors. theta energy: -2.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -26.617730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.617730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.617730 (E_RNA) where: Base-Base interactions energy: -7.796 where: short stacking energy: -7.796 Base-Backbone interact. energy: -0.000 local terms energy: -18.821268 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.271 flat angles P-C4'-P energy: -2.287 tors. eta vs tors. theta energy: -3.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -24.843153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.843153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.843153 (E_RNA) where: Base-Base interactions energy: -7.936 where: short stacking energy: -7.936 Base-Backbone interact. energy: -0.100 local terms energy: -16.807068 where: bonds (distance) C4'-P energy: -4.742 bonds (distance) P-C4' energy: -3.312 flat angles C4'-P-C4' energy: -3.849 flat angles P-C4'-P energy: -2.922 tors. eta vs tors. theta energy: -1.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -29.680220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.680220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.680220 (E_RNA) where: Base-Base interactions energy: -11.167 where: short stacking energy: -11.167 Base-Backbone interact. energy: -0.000 local terms energy: -18.512917 where: bonds (distance) C4'-P energy: -3.036 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.702 flat angles P-C4'-P energy: -3.513 tors. eta vs tors. theta energy: -1.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -28.316314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.316314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.316314 (E_RNA) where: Base-Base interactions energy: -11.885 where: short stacking energy: -11.885 Base-Backbone interact. energy: -0.000 local terms energy: -16.431521 where: bonds (distance) C4'-P energy: -1.195 bonds (distance) P-C4' energy: -4.631 flat angles C4'-P-C4' energy: -3.972 flat angles P-C4'-P energy: -1.700 tors. eta vs tors. theta energy: -4.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -25.966759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.966759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.966759 (E_RNA) where: Base-Base interactions energy: -7.542 where: short stacking energy: -7.542 Base-Backbone interact. energy: -0.006 local terms energy: -18.418107 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.729 flat angles P-C4'-P energy: -3.759 tors. eta vs tors. theta energy: -1.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -26.494122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.494122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.494122 (E_RNA) where: Base-Base interactions energy: -12.332 where: short stacking energy: -12.332 Base-Backbone interact. energy: -0.005 local terms energy: -14.156819 where: bonds (distance) C4'-P energy: -2.518 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.854 flat angles P-C4'-P energy: -2.137 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: 7, replica: 3 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -19.204916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.204916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.204916 (E_RNA) where: Base-Base interactions energy: -3.982 where: short stacking energy: -3.982 Base-Backbone interact. energy: -0.000 local terms energy: -15.222470 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -2.114 flat angles P-C4'-P energy: -2.526 tors. eta vs tors. theta energy: -1.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -21.131181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.131181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.131181 (E_RNA) where: Base-Base interactions energy: -7.494 where: short stacking energy: -7.494 Base-Backbone interact. energy: -0.011 local terms energy: -13.625743 where: bonds (distance) C4'-P energy: -3.053 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -2.674 flat angles P-C4'-P energy: -3.292 tors. eta vs tors. theta energy: 0.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -21.869539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.869539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.869539 (E_RNA) where: Base-Base interactions energy: -4.181 where: short stacking energy: -4.181 Base-Backbone interact. energy: -0.016 local terms energy: -17.672989 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.183 flat angles P-C4'-P energy: -2.657 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: 10, replica: 10 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -22.459312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.459312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.459312 (E_RNA) where: Base-Base interactions energy: -7.289 where: short stacking energy: -7.289 Base-Backbone interact. energy: -0.000 local terms energy: -15.170758 where: bonds (distance) C4'-P energy: -2.634 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.759 flat angles P-C4'-P energy: -1.496 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: 1, replica: 2 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -27.107826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.107826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.107826 (E_RNA) where: Base-Base interactions energy: -11.328 where: short stacking energy: -11.328 Base-Backbone interact. energy: -0.008 local terms energy: -15.771652 where: bonds (distance) C4'-P energy: -1.766 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -3.813 flat angles P-C4'-P energy: -2.540 tors. eta vs tors. theta energy: -2.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -25.769110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.769110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.769110 (E_RNA) where: Base-Base interactions energy: -6.917 where: short stacking energy: -6.917 Base-Backbone interact. energy: -0.000 local terms energy: -18.851596 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -4.818 flat angles P-C4'-P energy: -3.349 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: 3, replica: 9 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -25.092594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.092594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.092594 (E_RNA) where: Base-Base interactions energy: -6.383 where: short stacking energy: -6.383 Base-Backbone interact. energy: -0.002 local terms energy: -18.707112 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.782 flat angles P-C4'-P energy: -3.869 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: 4, replica: 1 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -25.098496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.098496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.098496 (E_RNA) where: Base-Base interactions energy: -4.037 where: short stacking energy: -4.037 Base-Backbone interact. energy: -0.710 local terms energy: -20.351625 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.854 flat angles P-C4'-P energy: -2.770 tors. eta vs tors. theta energy: -3.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -21.456243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.456243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.456243 (E_RNA) where: Base-Base interactions energy: -6.719 where: short stacking energy: -6.719 Base-Backbone interact. energy: -0.001 local terms energy: -14.736340 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -2.440 flat angles P-C4'-P energy: -1.409 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: 6, replica: 3 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -22.089650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.089650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.089650 (E_RNA) where: Base-Base interactions energy: -4.271 where: short stacking energy: -4.271 Base-Backbone interact. energy: -0.000 local terms energy: -17.818582 where: bonds (distance) C4'-P energy: -2.904 bonds (distance) P-C4' energy: -4.314 flat angles C4'-P-C4' energy: -4.237 flat angles P-C4'-P energy: -1.885 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: 7, replica: 7 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -21.094473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.094473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.094473 (E_RNA) where: Base-Base interactions energy: -3.991 where: short stacking energy: -3.991 Base-Backbone interact. energy: -0.001 local terms energy: -17.102234 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -3.871 flat angles P-C4'-P energy: -2.752 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: 8 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -20.380840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.380840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.380840 (E_RNA) where: Base-Base interactions energy: -5.009 where: short stacking energy: -5.009 Base-Backbone interact. energy: -0.123 local terms energy: -15.248128 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.595 flat angles P-C4'-P energy: -2.855 tors. eta vs tors. theta energy: 1.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -24.734940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.734940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.734940 (E_RNA) where: Base-Base interactions energy: -8.404 where: short stacking energy: -8.404 Base-Backbone interact. energy: -0.002 local terms energy: -16.328206 where: bonds (distance) C4'-P energy: -2.896 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.343 flat angles P-C4'-P energy: -2.255 tors. eta vs tors. theta energy: -2.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -21.760832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.760832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.760832 (E_RNA) where: Base-Base interactions energy: -7.409 where: short stacking energy: -4.248 Base-Backbone interact. energy: -0.033 local terms energy: -14.318733 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.255 flat angles P-C4'-P energy: -3.545 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: 1, replica: 5 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -24.892932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.892932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.892932 (E_RNA) where: Base-Base interactions energy: -8.860 where: short stacking energy: -8.860 Base-Backbone interact. energy: -0.019 local terms energy: -16.013638 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.869 flat angles P-C4'-P energy: -0.493 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: 2, replica: 2 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -30.279666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.279666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.279666 (E_RNA) where: Base-Base interactions energy: -11.175 where: short stacking energy: -11.175 Base-Backbone interact. energy: -0.017 local terms energy: -19.086927 where: bonds (distance) C4'-P energy: -3.673 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.687 flat angles P-C4'-P energy: -3.215 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: 1 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -25.951091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.951091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.951091 (E_RNA) where: Base-Base interactions energy: -7.106 where: short stacking energy: -7.106 Base-Backbone interact. energy: -0.001 local terms energy: -18.843947 where: bonds (distance) C4'-P energy: -3.869 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -4.456 flat angles P-C4'-P energy: -3.257 tors. eta vs tors. theta energy: -3.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -23.723462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.723462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.723462 (E_RNA) where: Base-Base interactions energy: -7.991 where: short stacking energy: -7.991 Base-Backbone interact. energy: -0.002 local terms energy: -15.730429 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -3.187 flat angles C4'-P-C4' energy: -4.366 flat angles P-C4'-P energy: -2.175 tors. eta vs tors. theta energy: -2.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -21.613390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.613390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.613390 (E_RNA) where: Base-Base interactions energy: -2.553 where: short stacking energy: -2.553 Base-Backbone interact. energy: -0.087 local terms energy: -18.972737 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.801 flat angles P-C4'-P energy: -3.752 tors. eta vs tors. theta energy: -0.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -22.079191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.079191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.079191 (E_RNA) where: Base-Base interactions energy: -4.350 where: short stacking energy: -4.350 Base-Backbone interact. energy: 0.146 local terms energy: -17.875138 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.117 flat angles P-C4'-P energy: -2.777 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: 7, replica: 8 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -27.345590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.345590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.345590 (E_RNA) where: Base-Base interactions energy: -7.581 where: short stacking energy: -7.581 Base-Backbone interact. energy: -0.000 local terms energy: -19.764545 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -3.829 flat angles P-C4'-P energy: -3.567 tors. eta vs tors. theta energy: -3.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -21.417338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.417338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.417338 (E_RNA) where: Base-Base interactions energy: -5.309 where: short stacking energy: -5.309 Base-Backbone interact. energy: -0.000 local terms energy: -16.108346 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -2.626 flat angles P-C4'-P energy: -2.282 tors. eta vs tors. theta energy: -2.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -24.942624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.942624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.942624 (E_RNA) where: Base-Base interactions energy: -7.546 where: short stacking energy: -7.546 Base-Backbone interact. energy: -0.000 local terms energy: -17.395902 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -2.040 flat angles P-C4'-P energy: -2.103 tors. eta vs tors. theta energy: -5.221 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: 6 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -22.927631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.927631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.927631 (E_RNA) where: Base-Base interactions energy: -5.486 where: short stacking energy: -5.486 Base-Backbone interact. energy: -0.000 local terms energy: -17.441598 where: bonds (distance) C4'-P energy: -3.708 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.349 flat angles P-C4'-P energy: -0.846 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: 1, replica: 5 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -27.772379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.772379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.772379 (E_RNA) where: Base-Base interactions energy: -7.174 where: short stacking energy: -7.174 Base-Backbone interact. energy: -0.002 local terms energy: -20.596273 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.609 flat angles P-C4'-P energy: -3.647 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: 2, replica: 2 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -28.581494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.581494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.581494 (E_RNA) where: Base-Base interactions energy: -11.133 where: short stacking energy: -11.133 Base-Backbone interact. energy: -0.000 local terms energy: -17.448240 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.216 flat angles P-C4'-P energy: -3.549 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: 3, replica: 1 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -31.823038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.823038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.823038 (E_RNA) where: Base-Base interactions energy: -10.318 where: short stacking energy: -10.318 Base-Backbone interact. energy: -0.000 local terms energy: -21.504532 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.114 flat angles P-C4'-P energy: -3.050 tors. eta vs tors. theta energy: -4.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -26.744106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.744106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.744106 (E_RNA) where: Base-Base interactions energy: -11.623 where: short stacking energy: -11.623 Base-Backbone interact. energy: -0.001 local terms energy: -15.120002 where: bonds (distance) C4'-P energy: -2.564 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.275 flat angles P-C4'-P energy: -2.551 tors. eta vs tors. theta energy: -0.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -28.182891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.182891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.182891 (E_RNA) where: Base-Base interactions energy: -11.733 where: short stacking energy: -11.733 Base-Backbone interact. energy: -0.042 local terms energy: -16.408263 where: bonds (distance) C4'-P energy: -1.479 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.559 flat angles P-C4'-P energy: -2.853 tors. eta vs tors. theta energy: -2.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -24.203049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.203049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.203049 (E_RNA) where: Base-Base interactions energy: -7.745 where: short stacking energy: -7.745 Base-Backbone interact. energy: -0.000 local terms energy: -16.457744 where: bonds (distance) C4'-P energy: -2.564 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.906 flat angles P-C4'-P energy: -1.398 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: 7, replica: 3 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -23.485498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.485498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.485498 (E_RNA) where: Base-Base interactions energy: -6.255 where: short stacking energy: -6.255 Base-Backbone interact. energy: -1.159 local terms energy: -16.070896 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -4.625 flat angles P-C4'-P energy: -3.021 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: 8, replica: 10 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -21.551180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.551180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.551180 (E_RNA) where: Base-Base interactions energy: -4.567 where: short stacking energy: -4.567 Base-Backbone interact. energy: -0.002 local terms energy: -16.982135 where: bonds (distance) C4'-P energy: -4.535 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -3.899 flat angles P-C4'-P energy: -2.859 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: 9, replica: 7 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -22.039372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.039372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.039372 (E_RNA) where: Base-Base interactions energy: -4.221 where: short stacking energy: -4.221 Base-Backbone interact. energy: -0.000 local terms energy: -17.818601 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.521 flat angles P-C4'-P energy: -2.880 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: 10, replica: 6 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -20.457801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.457801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.457801 (E_RNA) where: Base-Base interactions energy: -3.798 where: short stacking energy: -3.798 Base-Backbone interact. energy: -0.000 local terms energy: -16.659410 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.697 flat angles P-C4'-P energy: -1.648 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: 1, replica: 2 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -30.801620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.801620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.801620 (E_RNA) where: Base-Base interactions energy: -11.364 where: short stacking energy: -11.364 Base-Backbone interact. energy: -0.000 local terms energy: -19.437588 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -3.917 flat angles P-C4'-P energy: -2.374 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: 5 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -25.355303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.355303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.355303 (E_RNA) where: Base-Base interactions energy: -9.615 where: short stacking energy: -9.615 Base-Backbone interact. energy: -0.010 local terms energy: -15.730141 where: bonds (distance) C4'-P energy: -3.268 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -2.893 flat angles P-C4'-P energy: -3.253 tors. eta vs tors. theta energy: -1.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -26.614223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.614223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.614223 (E_RNA) where: Base-Base interactions energy: -7.272 where: short stacking energy: -7.272 Base-Backbone interact. energy: -0.000 local terms energy: -19.342626 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.115 flat angles P-C4'-P energy: -2.396 tors. eta vs tors. theta energy: -3.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -25.203668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.203668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.203668 (E_RNA) where: Base-Base interactions energy: -6.425 where: short stacking energy: -6.425 Base-Backbone interact. energy: -0.000 local terms energy: -18.779073 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.575 flat angles C4'-P-C4' energy: -4.129 flat angles P-C4'-P energy: -3.645 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: 8 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -23.582759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.582759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.582759 (E_RNA) where: Base-Base interactions energy: -7.002 where: short stacking energy: -7.002 Base-Backbone interact. energy: -0.000 local terms energy: -16.580391 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -2.935 flat angles P-C4'-P energy: -1.329 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: 6, replica: 9 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -24.391763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.391763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.391763 (E_RNA) where: Base-Base interactions energy: -7.833 where: short stacking energy: -7.833 Base-Backbone interact. energy: -0.001 local terms energy: -16.558334 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -3.790 flat angles C4'-P-C4' energy: -4.509 flat angles P-C4'-P energy: -2.337 tors. eta vs tors. theta energy: -1.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -21.030472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.030472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.030472 (E_RNA) where: Base-Base interactions energy: -3.577 where: short stacking energy: -3.577 Base-Backbone interact. energy: 0.619 local terms energy: -18.072232 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.880 flat angles P-C4'-P energy: -3.537 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: 8, replica: 3 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -27.172457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.172457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.172457 (E_RNA) where: Base-Base interactions energy: -9.874 where: short stacking energy: -9.874 Base-Backbone interact. energy: -0.001 local terms energy: -17.297077 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -3.515 flat angles C4'-P-C4' energy: -4.349 flat angles P-C4'-P energy: -2.032 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: 9, replica: 6 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -21.065839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.065839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.065839 (E_RNA) where: Base-Base interactions energy: -7.307 where: short stacking energy: -7.307 Base-Backbone interact. energy: -0.002 local terms energy: -13.756972 where: bonds (distance) C4'-P energy: -1.604 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.434 flat angles P-C4'-P energy: -3.215 tors. eta vs tors. theta energy: -0.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -21.118165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.118165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.118165 (E_RNA) where: Base-Base interactions energy: -6.905 where: short stacking energy: -6.905 Base-Backbone interact. energy: -0.010 local terms energy: -14.202562 where: bonds (distance) C4'-P energy: -3.683 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -3.233 flat angles P-C4'-P energy: -1.910 tors. eta vs tors. theta energy: -0.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -31.436647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.436647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.436647 (E_RNA) where: Base-Base interactions energy: -12.583 where: short stacking energy: -12.583 Base-Backbone interact. energy: -0.000 local terms energy: -18.853653 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.173 flat angles P-C4'-P energy: -1.739 tors. eta vs tors. theta energy: -3.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -27.024994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.024994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.024994 (E_RNA) where: Base-Base interactions energy: -10.288 where: short stacking energy: -10.288 Base-Backbone interact. energy: -0.000 local terms energy: -16.736454 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -3.324 flat angles C4'-P-C4' energy: -4.500 flat angles P-C4'-P energy: -3.219 tors. eta vs tors. theta energy: -2.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -24.421368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.421368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.421368 (E_RNA) where: Base-Base interactions energy: -9.176 where: short stacking energy: -9.176 Base-Backbone interact. energy: -0.000 local terms energy: -15.245130 where: bonds (distance) C4'-P energy: -3.505 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.207 flat angles P-C4'-P energy: 0.824 tors. eta vs tors. theta energy: -3.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -23.877089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.877089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.877089 (E_RNA) where: Base-Base interactions energy: -4.920 where: short stacking energy: -4.920 Base-Backbone interact. energy: -0.000 local terms energy: -18.957015 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -4.649 flat angles P-C4'-P energy: -2.937 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: 5, replica: 1 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -21.928494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.928494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.928494 (E_RNA) where: Base-Base interactions energy: -4.646 where: short stacking energy: -4.646 Base-Backbone interact. energy: -0.002 local terms energy: -17.281027 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.784 flat angles P-C4'-P energy: -1.531 tors. eta vs tors. theta energy: -1.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -23.152055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.152055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.152055 (E_RNA) where: Base-Base interactions energy: -6.984 where: short stacking energy: -6.984 Base-Backbone interact. energy: -0.001 local terms energy: -16.167828 where: bonds (distance) C4'-P energy: -2.449 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -2.429 flat angles P-C4'-P energy: -3.197 tors. eta vs tors. theta energy: -3.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -22.570777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.570777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.570777 (E_RNA) where: Base-Base interactions energy: -6.003 where: short stacking energy: -6.003 Base-Backbone interact. energy: -0.002 local terms energy: -16.566086 where: bonds (distance) C4'-P energy: -2.913 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -3.106 flat angles P-C4'-P energy: -3.474 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: 8, replica: 6 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -22.783071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.783071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.783071 (E_RNA) where: Base-Base interactions energy: -5.682 where: short stacking energy: -5.682 Base-Backbone interact. energy: -0.001 local terms energy: -17.100388 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -3.463 flat angles P-C4'-P energy: -2.790 tors. eta vs tors. theta energy: -1.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -23.871595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.871595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.871595 (E_RNA) where: Base-Base interactions energy: -10.002 where: short stacking energy: -10.002 Base-Backbone interact. energy: -0.024 local terms energy: -13.845869 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -3.032 flat angles C4'-P-C4' energy: -3.851 flat angles P-C4'-P energy: -2.150 tors. eta vs tors. theta energy: -1.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -19.153239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.153239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.153239 (E_RNA) where: Base-Base interactions energy: -3.881 where: short stacking energy: -3.881 Base-Backbone interact. energy: -0.000 local terms energy: -15.272274 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -3.460 flat angles P-C4'-P energy: -3.165 tors. eta vs tors. theta energy: -0.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -23.643618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.643618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.643618 (E_RNA) where: Base-Base interactions energy: -7.569 where: short stacking energy: -7.569 Base-Backbone interact. energy: -0.014 local terms energy: -16.059976 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -3.054 flat angles P-C4'-P energy: -3.434 tors. eta vs tors. theta energy: -1.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -28.029774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.029774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.029774 (E_RNA) where: Base-Base interactions energy: -11.979 where: short stacking energy: -11.979 Base-Backbone interact. energy: -0.009 local terms energy: -16.040948 where: bonds (distance) C4'-P energy: -1.960 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.553 flat angles P-C4'-P energy: -3.523 tors. eta vs tors. theta energy: -2.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -30.061183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.061183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.061183 (E_RNA) where: Base-Base interactions energy: -11.449 where: short stacking energy: -11.449 Base-Backbone interact. energy: -0.000 local terms energy: -18.612137 where: bonds (distance) C4'-P energy: -1.439 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.484 flat angles P-C4'-P energy: -3.115 tors. eta vs tors. theta energy: -4.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -24.533827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.533827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.533827 (E_RNA) where: Base-Base interactions energy: -7.572 where: short stacking energy: -7.572 Base-Backbone interact. energy: -0.055 local terms energy: -16.906895 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.302 flat angles P-C4'-P energy: -1.747 tors. eta vs tors. theta energy: -3.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -22.234121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.234121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.234121 (E_RNA) where: Base-Base interactions energy: -7.349 where: short stacking energy: -7.349 Base-Backbone interact. energy: -0.020 local terms energy: -14.864944 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -4.051 flat angles C4'-P-C4' energy: -2.964 flat angles P-C4'-P energy: -3.787 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: 6, replica: 1 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -24.243873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.243873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.243873 (E_RNA) where: Base-Base interactions energy: -9.361 where: short stacking energy: -9.361 Base-Backbone interact. energy: -0.010 local terms energy: -14.872205 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -0.473 flat angles P-C4'-P energy: -3.318 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: 6 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -23.154883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.154883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.154883 (E_RNA) where: Base-Base interactions energy: -6.551 where: short stacking energy: -6.551 Base-Backbone interact. energy: -0.031 local terms energy: -16.572572 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.868 flat angles P-C4'-P energy: -2.951 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: 8, replica: 9 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -24.151959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.151959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.151959 (E_RNA) where: Base-Base interactions energy: -5.470 where: short stacking energy: -5.470 Base-Backbone interact. energy: -0.100 local terms energy: -18.581507 where: bonds (distance) C4'-P energy: -3.186 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -4.176 flat angles P-C4'-P energy: -3.721 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: 7 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -19.579211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.579211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.579211 (E_RNA) where: Base-Base interactions energy: -4.292 where: short stacking energy: -4.292 Base-Backbone interact. energy: -0.129 local terms energy: -15.158679 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -4.116 flat angles P-C4'-P energy: -2.564 tors. eta vs tors. theta energy: 0.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -20.744845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.744845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.744845 (E_RNA) where: Base-Base interactions energy: -6.488 where: short stacking energy: -6.488 Base-Backbone interact. energy: -0.004 local terms energy: -14.253175 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -4.395 flat angles C4'-P-C4' energy: -1.768 flat angles P-C4'-P energy: -1.584 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: 1, replica: 4 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -30.034988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.034988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.034988 (E_RNA) where: Base-Base interactions energy: -10.944 where: short stacking energy: -10.944 Base-Backbone interact. energy: -0.000 local terms energy: -19.091246 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.919 flat angles P-C4'-P energy: -1.830 tors. eta vs tors. theta energy: -3.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -25.987400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.987400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.987400 (E_RNA) where: Base-Base interactions energy: -8.870 where: short stacking energy: -8.870 Base-Backbone interact. energy: -0.002 local terms energy: -17.116077 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.459 flat angles P-C4'-P energy: -2.508 tors. eta vs tors. theta energy: -1.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -24.529092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.529092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.529092 (E_RNA) where: Base-Base interactions energy: -6.531 where: short stacking energy: -6.531 Base-Backbone interact. energy: -0.000 local terms energy: -17.997654 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.510 flat angles P-C4'-P energy: -1.743 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: 4, replica: 10 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -26.519940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.519940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.519940 (E_RNA) where: Base-Base interactions energy: -6.205 where: short stacking energy: -6.205 Base-Backbone interact. energy: -0.000 local terms energy: -20.314470 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.870 flat angles P-C4'-P energy: -2.955 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: 5, replica: 5 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -23.134766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.134766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.134766 (E_RNA) where: Base-Base interactions energy: -5.795 where: short stacking energy: -5.795 Base-Backbone interact. energy: -0.000 local terms energy: -17.339317 where: bonds (distance) C4'-P energy: -2.751 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.500 flat angles P-C4'-P energy: -2.205 tors. eta vs tors. theta energy: -3.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -25.513895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.513895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.513895 (E_RNA) where: Base-Base interactions energy: -8.607 where: short stacking energy: -8.607 Base-Backbone interact. energy: -0.000 local terms energy: -16.907089 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.237 flat angles P-C4'-P energy: -2.658 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: 375 Temperature: 1.200000 Total energy: -23.479065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.479065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.479065 (E_RNA) where: Base-Base interactions energy: -7.998 where: short stacking energy: -7.998 Base-Backbone interact. energy: -0.000 local terms energy: -15.481343 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -3.315 flat angles C4'-P-C4' energy: -3.748 flat angles P-C4'-P energy: -1.532 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: 8, replica: 7 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -23.629796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.629796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.629796 (E_RNA) where: Base-Base interactions energy: -8.152 where: short stacking energy: -8.152 Base-Backbone interact. energy: -0.000 local terms energy: -15.477794 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -2.870 flat angles C4'-P-C4' energy: -2.818 flat angles P-C4'-P energy: -2.606 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: 9, replica: 9 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -27.010823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.010823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.010823 (E_RNA) where: Base-Base interactions energy: -10.325 where: short stacking energy: -10.325 Base-Backbone interact. energy: -0.000 local terms energy: -16.685712 where: bonds (distance) C4'-P energy: -3.861 bonds (distance) P-C4' energy: -3.815 flat angles C4'-P-C4' energy: -3.357 flat angles P-C4'-P energy: -2.355 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: 10, replica: 3 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -20.534620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.534620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.534620 (E_RNA) where: Base-Base interactions energy: -3.859 where: short stacking energy: -3.859 Base-Backbone interact. energy: -0.001 local terms energy: -16.674722 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.873 flat angles P-C4'-P energy: -3.382 tors. eta vs tors. theta energy: 0.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -24.633996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.633996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.633996 (E_RNA) where: Base-Base interactions energy: -8.027 where: short stacking energy: -8.027 Base-Backbone interact. energy: -0.000 local terms energy: -16.606801 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -3.049 flat angles P-C4'-P energy: -3.052 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: 2, replica: 4 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -23.430737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.430737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.430737 (E_RNA) where: Base-Base interactions energy: -7.070 where: short stacking energy: -7.070 Base-Backbone interact. energy: -0.045 local terms energy: -16.315639 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.129 flat angles P-C4'-P energy: -1.937 tors. eta vs tors. theta energy: -1.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -27.386284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.386284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.386284 (E_RNA) where: Base-Base interactions energy: -7.841 where: short stacking energy: -7.841 Base-Backbone interact. energy: -0.000 local terms energy: -19.544774 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -3.996 flat angles P-C4'-P energy: -2.484 tors. eta vs tors. theta energy: -4.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -23.977646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.977646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.977646 (E_RNA) where: Base-Base interactions energy: -8.484 where: short stacking energy: -8.484 Base-Backbone interact. energy: -0.000 local terms energy: -15.493162 where: bonds (distance) C4'-P energy: -3.202 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.427 flat angles P-C4'-P energy: -2.412 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: 5, replica: 1 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -23.012050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.012050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.012050 (E_RNA) where: Base-Base interactions energy: -6.968 where: short stacking energy: -6.968 Base-Backbone interact. energy: -0.004 local terms energy: -16.040040 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.642 flat angles P-C4'-P energy: -3.051 tors. eta vs tors. theta energy: -0.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -25.885514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.885514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.885514 (E_RNA) where: Base-Base interactions energy: -7.277 where: short stacking energy: -7.524 Base-Backbone interact. energy: -0.042 local terms energy: -18.566999 where: bonds (distance) C4'-P energy: -3.326 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.644 flat angles P-C4'-P energy: -2.256 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: 7 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -21.585049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.585049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.585049 (E_RNA) where: Base-Base interactions energy: -5.870 where: short stacking energy: -5.870 Base-Backbone interact. energy: -0.096 local terms energy: -15.619202 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.540 flat angles P-C4'-P energy: -1.405 tors. eta vs tors. theta energy: -0.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -21.110994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.110994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.110994 (E_RNA) where: Base-Base interactions energy: -5.042 where: short stacking energy: -5.042 Base-Backbone interact. energy: -0.079 local terms energy: -15.990649 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.801 flat angles P-C4'-P energy: -2.084 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: 3 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -23.365984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.365984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.365984 (E_RNA) where: Base-Base interactions energy: -7.294 where: short stacking energy: -7.294 Base-Backbone interact. energy: -0.001 local terms energy: -16.071182 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.390 flat angles P-C4'-P energy: -3.398 tors. eta vs tors. theta energy: -1.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -20.018166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.018166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.018166 (E_RNA) where: Base-Base interactions energy: -3.575 where: short stacking energy: -3.575 Base-Backbone interact. energy: -0.000 local terms energy: -16.443393 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -2.630 flat angles P-C4'-P energy: -3.369 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: 8 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -26.260655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.260655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.260655 (E_RNA) where: Base-Base interactions energy: -10.851 where: short stacking energy: -10.851 Base-Backbone interact. energy: -0.000 local terms energy: -15.408882 where: bonds (distance) C4'-P energy: -1.935 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -3.832 flat angles P-C4'-P energy: -3.666 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: 2, replica: 10 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -25.465653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.465653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.465653 (E_RNA) where: Base-Base interactions energy: -7.325 where: short stacking energy: -7.325 Base-Backbone interact. energy: -0.000 local terms energy: -18.140788 where: bonds (distance) C4'-P energy: -3.823 bonds (distance) P-C4' energy: -4.572 flat angles C4'-P-C4' energy: -4.426 flat angles P-C4'-P energy: -2.920 tors. eta vs tors. theta energy: -2.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -24.609154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.609154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.609154 (E_RNA) where: Base-Base interactions energy: -7.192 where: short stacking energy: -7.192 Base-Backbone interact. energy: -0.099 local terms energy: -17.318525 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.577 flat angles P-C4'-P energy: -2.173 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: 4, replica: 1 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -27.300115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.300115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.300115 (E_RNA) where: Base-Base interactions energy: -7.723 where: short stacking energy: -7.723 Base-Backbone interact. energy: -0.000 local terms energy: -19.577134 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -3.005 flat angles P-C4'-P energy: -3.423 tors. eta vs tors. theta energy: -4.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -25.703110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.703110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.703110 (E_RNA) where: Base-Base interactions energy: -7.393 where: short stacking energy: -7.393 Base-Backbone interact. energy: -0.000 local terms energy: -18.310092 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.290 flat angles P-C4'-P energy: -3.345 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: 5 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -21.752356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.752356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.752356 (E_RNA) where: Base-Base interactions energy: -6.653 where: short stacking energy: -6.653 Base-Backbone interact. energy: -0.000 local terms energy: -15.098820 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -3.984 flat angles C4'-P-C4' energy: -4.176 flat angles P-C4'-P energy: -2.786 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: 7, replica: 7 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -20.906277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.906277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.906277 (E_RNA) where: Base-Base interactions energy: -5.403 where: short stacking energy: -5.403 Base-Backbone interact. energy: -0.001 local terms energy: -15.502796 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -4.574 flat angles P-C4'-P energy: -1.272 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: 8, replica: 3 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -19.779508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.779508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.779508 (E_RNA) where: Base-Base interactions energy: -3.469 where: short stacking energy: -3.469 Base-Backbone interact. energy: -0.085 local terms energy: -16.225338 where: bonds (distance) C4'-P energy: -3.708 bonds (distance) P-C4' energy: -4.572 flat angles C4'-P-C4' energy: -3.537 flat angles P-C4'-P energy: -2.654 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: 9, replica: 6 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -21.193026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.193026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.193026 (E_RNA) where: Base-Base interactions energy: -6.544 where: short stacking energy: -6.544 Base-Backbone interact. energy: -0.033 local terms energy: -14.616759 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.320 flat angles P-C4'-P energy: -2.689 tors. eta vs tors. theta energy: 0.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -21.661438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.661438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.661438 (E_RNA) where: Base-Base interactions energy: -3.834 where: short stacking energy: -3.834 Base-Backbone interact. energy: -0.001 local terms energy: -17.826485 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -4.506 flat angles P-C4'-P energy: -3.738 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: 1, replica: 10 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -29.696562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.696562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.696562 (E_RNA) where: Base-Base interactions energy: -10.100 where: short stacking energy: -10.100 Base-Backbone interact. energy: -0.000 local terms energy: -19.596230 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.690 flat angles P-C4'-P energy: -3.057 tors. eta vs tors. theta energy: -3.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -26.796429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.796429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.796429 (E_RNA) where: Base-Base interactions energy: -7.282 where: short stacking energy: -7.282 Base-Backbone interact. energy: 0.026 local terms energy: -19.540538 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -4.044 flat angles P-C4'-P energy: -2.556 tors. eta vs tors. theta energy: -4.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -29.027301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.027301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.027301 (E_RNA) where: Base-Base interactions energy: -11.765 where: short stacking energy: -11.765 Base-Backbone interact. energy: -0.001 local terms energy: -17.261213 where: bonds (distance) C4'-P energy: -3.198 bonds (distance) P-C4' energy: -4.149 flat angles C4'-P-C4' energy: -4.363 flat angles P-C4'-P energy: -3.892 tors. eta vs tors. theta energy: -1.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -24.568912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.568912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.568912 (E_RNA) where: Base-Base interactions energy: -7.124 where: short stacking energy: -7.124 Base-Backbone interact. energy: -0.000 local terms energy: -17.444283 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.364 flat angles P-C4'-P energy: -2.359 tors. eta vs tors. theta energy: -1.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -24.090372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.090372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.090372 (E_RNA) where: Base-Base interactions energy: -11.481 where: short stacking energy: -11.481 Base-Backbone interact. energy: -0.050 local terms energy: -12.559196 where: bonds (distance) C4'-P energy: -2.006 bonds (distance) P-C4' energy: -4.103 flat angles C4'-P-C4' energy: -3.424 flat angles P-C4'-P energy: -2.957 tors. eta vs tors. theta energy: -0.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -26.213495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.213495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.213495 (E_RNA) where: Base-Base interactions energy: -7.000 where: short stacking energy: -7.000 Base-Backbone interact. energy: -0.000 local terms energy: -19.213482 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.622 flat angles P-C4'-P energy: -3.825 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: 7, replica: 3 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -23.279209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.279209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.279209 (E_RNA) where: Base-Base interactions energy: -4.113 where: short stacking energy: -4.113 Base-Backbone interact. energy: -0.000 local terms energy: -19.165867 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.676 flat angles P-C4'-P energy: -2.951 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: 8, replica: 7 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -23.372816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.372816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.372816 (E_RNA) where: Base-Base interactions energy: -5.081 where: short stacking energy: -5.081 Base-Backbone interact. energy: -0.000 local terms energy: -18.292298 where: bonds (distance) C4'-P energy: -4.125 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.118 flat angles P-C4'-P energy: -3.243 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: 9, replica: 9 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -24.629061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.629061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.629061 (E_RNA) where: Base-Base interactions energy: -7.395 where: short stacking energy: -7.395 Base-Backbone interact. energy: -0.003 local terms energy: -17.231330 where: bonds (distance) C4'-P energy: -2.776 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.479 flat angles P-C4'-P energy: -1.664 tors. eta vs tors. theta energy: -3.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -21.380793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.380793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.380793 (E_RNA) where: Base-Base interactions energy: -3.601 where: short stacking energy: -3.601 Base-Backbone interact. energy: -0.000 local terms energy: -17.779606 where: bonds (distance) C4'-P energy: -3.823 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.797 flat angles P-C4'-P energy: -3.549 tors. eta vs tors. theta energy: -1.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -27.348168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.348168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.348168 (E_RNA) where: Base-Base interactions energy: -7.971 where: short stacking energy: -7.971 Base-Backbone interact. energy: -0.001 local terms energy: -19.376116 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -4.540 flat angles P-C4'-P energy: -3.440 tors. eta vs tors. theta energy: -2.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -32.718299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.718299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.718299 (E_RNA) where: Base-Base interactions energy: -11.613 where: short stacking energy: -11.613 Base-Backbone interact. energy: -0.000 local terms energy: -21.105578 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.487 flat angles P-C4'-P energy: -3.113 tors. eta vs tors. theta energy: -4.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -22.577801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.577801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.577801 (E_RNA) where: Base-Base interactions energy: -5.998 where: short stacking energy: -5.998 Base-Backbone interact. energy: -0.000 local terms energy: -16.579895 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.466 flat angles P-C4'-P energy: -3.559 tors. eta vs tors. theta energy: 0.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -26.288162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.288162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.288162 (E_RNA) where: Base-Base interactions energy: -10.031 where: short stacking energy: -10.031 Base-Backbone interact. energy: -0.000 local terms energy: -16.256941 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.252 flat angles P-C4'-P energy: -2.576 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: 4 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -22.395874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.395874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.395874 (E_RNA) where: Base-Base interactions energy: -7.471 where: short stacking energy: -7.471 Base-Backbone interact. energy: -0.046 local terms energy: -14.878969 where: bonds (distance) C4'-P energy: -2.676 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.341 flat angles P-C4'-P energy: -2.823 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: 6, replica: 3 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -23.011192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.011192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.011192 (E_RNA) where: Base-Base interactions energy: -3.872 where: short stacking energy: -2.424 Base-Backbone interact. energy: -0.000 local terms energy: -19.139590 where: bonds (distance) C4'-P energy: -4.009 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.382 flat angles P-C4'-P energy: -2.955 tors. eta vs tors. theta energy: -2.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -24.028481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.028481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.028481 (E_RNA) where: Base-Base interactions energy: -10.319 where: short stacking energy: -10.319 Base-Backbone interact. energy: -0.092 local terms energy: -13.616986 where: bonds (distance) C4'-P energy: -2.510 bonds (distance) P-C4' energy: -4.339 flat angles C4'-P-C4' energy: -2.852 flat angles P-C4'-P energy: -3.257 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: 9 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -23.764496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.764496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.764496 (E_RNA) where: Base-Base interactions energy: -5.815 where: short stacking energy: -5.815 Base-Backbone interact. energy: -0.000 local terms energy: -17.949366 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -3.232 flat angles P-C4'-P energy: -2.993 tors. eta vs tors. theta energy: -3.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -22.210223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.210223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.210223 (E_RNA) where: Base-Base interactions energy: -7.367 where: short stacking energy: -7.367 Base-Backbone interact. energy: -0.004 local terms energy: -14.840048 where: bonds (distance) C4'-P energy: -2.023 bonds (distance) P-C4' energy: -4.569 flat angles C4'-P-C4' energy: -3.080 flat angles P-C4'-P energy: -3.550 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: 10, replica: 6 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -21.380842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.380842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.380842 (E_RNA) where: Base-Base interactions energy: -3.891 where: short stacking energy: -3.891 Base-Backbone interact. energy: -0.000 local terms energy: -17.490036 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.169 flat angles P-C4'-P energy: -2.524 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: 1, replica: 1 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -28.185873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.185873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.185873 (E_RNA) where: Base-Base interactions energy: -9.310 where: short stacking energy: -9.310 Base-Backbone interact. energy: -0.093 local terms energy: -18.783395 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.553 flat angles P-C4'-P energy: -3.911 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: 2, replica: 10 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -28.678374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.678374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.678374 (E_RNA) where: Base-Base interactions energy: -8.455 where: short stacking energy: -8.455 Base-Backbone interact. energy: -0.000 local terms energy: -20.223025 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.339 flat angles C4'-P-C4' energy: -3.115 flat angles P-C4'-P energy: -3.683 tors. eta vs tors. theta energy: -4.459 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: 3, replica: 5 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -26.252922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.252922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.252922 (E_RNA) where: Base-Base interactions energy: -4.955 where: short stacking energy: -4.955 Base-Backbone interact. energy: -0.006 local terms energy: -21.291402 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.801 flat angles P-C4'-P energy: -4.155 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: 8 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -24.244837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.244837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.244837 (E_RNA) where: Base-Base interactions energy: -7.650 where: short stacking energy: -7.650 Base-Backbone interact. energy: -0.000 local terms energy: -16.594074 where: bonds (distance) C4'-P energy: -3.322 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.629 flat angles P-C4'-P energy: -2.791 tors. eta vs tors. theta energy: -0.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -27.748563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.748563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.748563 (E_RNA) where: Base-Base interactions energy: -10.312 where: short stacking energy: -10.412 Base-Backbone interact. energy: -0.046 local terms energy: -17.390773 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.569 flat angles C4'-P-C4' energy: -4.203 flat angles P-C4'-P energy: -3.432 tors. eta vs tors. theta energy: -0.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -27.438926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.438926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.438926 (E_RNA) where: Base-Base interactions energy: -8.999 where: short stacking energy: -8.999 Base-Backbone interact. energy: -0.001 local terms energy: -18.439453 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -3.941 flat angles C4'-P-C4' energy: -4.606 flat angles P-C4'-P energy: -2.894 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: 7, replica: 9 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -25.098290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.098290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.098290 (E_RNA) where: Base-Base interactions energy: -7.755 where: short stacking energy: -7.755 Base-Backbone interact. energy: -0.004 local terms energy: -17.339886 where: bonds (distance) C4'-P energy: -3.185 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.217 flat angles P-C4'-P energy: -3.391 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: 8, replica: 2 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -20.694589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.694589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.694589 (E_RNA) where: Base-Base interactions energy: -6.061 where: short stacking energy: -6.061 Base-Backbone interact. energy: -0.022 local terms energy: -14.611893 where: bonds (distance) C4'-P energy: -2.456 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.171 flat angles P-C4'-P energy: -1.935 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: 9, replica: 6 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -21.632198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.632198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.632198 (E_RNA) where: Base-Base interactions energy: -6.289 where: short stacking energy: -6.289 Base-Backbone interact. energy: -0.000 local terms energy: -15.343271 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -4.103 flat angles C4'-P-C4' energy: -4.383 flat angles P-C4'-P energy: -0.196 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: 10, replica: 7 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -22.498676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.498676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.498676 (E_RNA) where: Base-Base interactions energy: -6.209 where: short stacking energy: -6.209 Base-Backbone interact. energy: -0.092 local terms energy: -16.197993 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -3.815 flat angles C4'-P-C4' energy: -4.254 flat angles P-C4'-P energy: -2.025 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: 1, replica: 1 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -26.652241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.652241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.652241 (E_RNA) where: Base-Base interactions energy: -7.602 where: short stacking energy: -7.602 Base-Backbone interact. energy: -0.000 local terms energy: -19.049753 where: bonds (distance) C4'-P energy: -4.233 bonds (distance) P-C4' energy: -4.896 flat angles C4'-P-C4' energy: -3.619 flat angles P-C4'-P energy: -3.765 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: 2, replica: 5 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -23.811133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.811133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.811133 (E_RNA) where: Base-Base interactions energy: -7.668 where: short stacking energy: -7.668 Base-Backbone interact. energy: -0.003 local terms energy: -16.140575 where: bonds (distance) C4'-P energy: -3.078 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.883 flat angles P-C4'-P energy: -2.586 tors. eta vs tors. theta energy: -1.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -22.550592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.550592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.550592 (E_RNA) where: Base-Base interactions energy: -7.807 where: short stacking energy: -7.807 Base-Backbone interact. energy: -0.000 local terms energy: -14.743166 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -1.980 flat angles P-C4'-P energy: -3.439 tors. eta vs tors. theta energy: -0.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -23.355383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.355383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.355383 (E_RNA) where: Base-Base interactions energy: -10.438 where: short stacking energy: -10.438 Base-Backbone interact. energy: -0.039 local terms energy: -12.879024 where: bonds (distance) C4'-P energy: -2.179 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -2.749 flat angles P-C4'-P energy: -1.541 tors. eta vs tors. theta energy: -1.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -24.070783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.070783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.070783 (E_RNA) where: Base-Base interactions energy: -4.258 where: short stacking energy: -4.258 Base-Backbone interact. energy: -0.000 local terms energy: -19.812850 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.326 flat angles P-C4'-P energy: -2.816 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: 6, replica: 9 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -24.232021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.232021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.232021 (E_RNA) where: Base-Base interactions energy: -7.400 where: short stacking energy: -7.400 Base-Backbone interact. energy: -0.020 local terms energy: -16.812370 where: bonds (distance) C4'-P energy: -3.645 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.888 flat angles P-C4'-P energy: -3.806 tors. eta vs tors. theta energy: 0.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -25.101312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.101312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.101312 (E_RNA) where: Base-Base interactions energy: -5.883 where: short stacking energy: -5.883 Base-Backbone interact. energy: -0.000 local terms energy: -19.217925 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.820 flat angles P-C4'-P energy: -2.836 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: 8, replica: 6 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -23.947175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.947175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.947175 (E_RNA) where: Base-Base interactions energy: -7.910 where: short stacking energy: -7.910 Base-Backbone interact. energy: -0.000 local terms energy: -16.037604 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.082 flat angles C4'-P-C4' energy: -1.430 flat angles P-C4'-P energy: -3.397 tors. eta vs tors. theta energy: -3.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -26.800495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.800495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.800495 (E_RNA) where: Base-Base interactions energy: -9.733 where: short stacking energy: -9.733 Base-Backbone interact. energy: -0.000 local terms energy: -17.067213 where: bonds (distance) C4'-P energy: -2.680 bonds (distance) P-C4' energy: -5.365 flat angles C4'-P-C4' energy: -2.566 flat angles P-C4'-P energy: -2.188 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: 7 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -22.465649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.465649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.465649 (E_RNA) where: Base-Base interactions energy: -4.402 where: short stacking energy: -4.402 Base-Backbone interact. energy: -0.000 local terms energy: -18.064088 where: bonds (distance) C4'-P energy: -1.588 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.534 flat angles P-C4'-P energy: -3.957 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: 1, replica: 5 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -25.435535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.435535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.435535 (E_RNA) where: Base-Base interactions energy: -10.853 where: short stacking energy: -10.853 Base-Backbone interact. energy: -0.000 local terms energy: -14.582677 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.343 flat angles P-C4'-P energy: -1.096 tors. eta vs tors. theta energy: -2.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -28.464588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.464588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.464588 (E_RNA) where: Base-Base interactions energy: -10.735 where: short stacking energy: -10.764 Base-Backbone interact. energy: -0.000 local terms energy: -17.729623 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -2.416 flat angles C4'-P-C4' energy: -3.803 flat angles P-C4'-P energy: -3.655 tors. eta vs tors. theta energy: -3.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -28.711974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.711974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.711974 (E_RNA) where: Base-Base interactions energy: -10.619 where: short stacking energy: -10.619 Base-Backbone interact. energy: -0.000 local terms energy: -18.093175 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.256 flat angles P-C4'-P energy: -2.344 tors. eta vs tors. theta energy: -2.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -23.955800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.955800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.955800 (E_RNA) where: Base-Base interactions energy: -7.601 where: short stacking energy: -7.601 Base-Backbone interact. energy: -0.026 local terms energy: -16.328084 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -3.764 flat angles P-C4'-P energy: -2.923 tors. eta vs tors. theta energy: -0.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -25.250482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.250482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.250482 (E_RNA) where: Base-Base interactions energy: -7.668 where: short stacking energy: -7.668 Base-Backbone interact. energy: -0.000 local terms energy: -17.582484 where: bonds (distance) C4'-P energy: -3.290 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.428 flat angles P-C4'-P energy: -3.129 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: 6, replica: 8 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -22.717101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.717101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.717101 (E_RNA) where: Base-Base interactions energy: -6.121 where: short stacking energy: -6.121 Base-Backbone interact. energy: -0.000 local terms energy: -16.595865 where: bonds (distance) C4'-P energy: -3.708 bonds (distance) P-C4' energy: -3.652 flat angles C4'-P-C4' energy: -3.262 flat angles P-C4'-P energy: -2.770 tors. eta vs tors. theta energy: -3.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -24.703664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.703664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.703664 (E_RNA) where: Base-Base interactions energy: -10.111 where: short stacking energy: -10.111 Base-Backbone interact. energy: -0.027 local terms energy: -14.565209 where: bonds (distance) C4'-P energy: -2.626 bonds (distance) P-C4' energy: -3.751 flat angles C4'-P-C4' energy: -3.044 flat angles P-C4'-P energy: -2.435 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: 4 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -22.162939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.162939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.162939 (E_RNA) where: Base-Base interactions energy: -6.858 where: short stacking energy: -6.858 Base-Backbone interact. energy: -0.000 local terms energy: -15.304882 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -2.317 flat angles P-C4'-P energy: -2.951 tors. eta vs tors. theta energy: -0.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -18.884124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.884124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.884124 (E_RNA) where: Base-Base interactions energy: -4.726 where: short stacking energy: -4.726 Base-Backbone interact. energy: -0.121 local terms energy: -14.037739 where: bonds (distance) C4'-P energy: -3.185 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.725 flat angles P-C4'-P energy: -1.845 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: 10, replica: 2 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -21.949021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.949021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.949021 (E_RNA) where: Base-Base interactions energy: -5.157 where: short stacking energy: -5.157 Base-Backbone interact. energy: -0.000 local terms energy: -16.791519 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.059 flat angles P-C4'-P energy: -1.959 tors. eta vs tors. theta energy: -1.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -25.443154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.443154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.443154 (E_RNA) where: Base-Base interactions energy: -8.366 where: short stacking energy: -8.366 Base-Backbone interact. energy: -0.003 local terms energy: -17.074351 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.072 flat angles P-C4'-P energy: -3.178 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: 2, replica: 10 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -26.086881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.086881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.086881 (E_RNA) where: Base-Base interactions energy: -7.477 where: short stacking energy: -7.477 Base-Backbone interact. energy: -0.000 local terms energy: -18.610173 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.331 flat angles P-C4'-P energy: -3.582 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: 1 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -29.484530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.484530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.484530 (E_RNA) where: Base-Base interactions energy: -10.551 where: short stacking energy: -10.551 Base-Backbone interact. energy: -0.000 local terms energy: -18.933630 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.718 flat angles P-C4'-P energy: -3.702 tors. eta vs tors. theta energy: -1.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -24.650047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.650047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.650047 (E_RNA) where: Base-Base interactions energy: -11.038 where: short stacking energy: -11.038 Base-Backbone interact. energy: -0.052 local terms energy: -13.559723 where: bonds (distance) C4'-P energy: -1.037 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -3.587 flat angles P-C4'-P energy: -3.292 tors. eta vs tors. theta energy: -0.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -21.951272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.951272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.951272 (E_RNA) where: Base-Base interactions energy: -5.008 where: short stacking energy: -5.008 Base-Backbone interact. energy: -0.031 local terms energy: -16.911324 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -3.981 flat angles C4'-P-C4' energy: -3.425 flat angles P-C4'-P energy: -3.582 tors. eta vs tors. theta energy: -1.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -26.686820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.686820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.686820 (E_RNA) where: Base-Base interactions energy: -9.074 where: short stacking energy: -9.074 Base-Backbone interact. energy: -0.000 local terms energy: -17.612947 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -3.886 flat angles P-C4'-P energy: -2.699 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: 7, replica: 8 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -19.774094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.774094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.774094 (E_RNA) where: Base-Base interactions energy: -3.574 where: short stacking energy: -3.721 Base-Backbone interact. energy: -0.042 local terms energy: -16.158348 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -2.486 flat angles P-C4'-P energy: -2.875 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: 8, replica: 7 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -21.481026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.481026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.481026 (E_RNA) where: Base-Base interactions energy: -4.781 where: short stacking energy: -4.781 Base-Backbone interact. energy: -0.000 local terms energy: -16.699641 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.943 flat angles P-C4'-P energy: -2.260 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: 4 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -21.628989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.628989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.628989 (E_RNA) where: Base-Base interactions energy: -5.823 where: short stacking energy: -5.823 Base-Backbone interact. energy: -0.000 local terms energy: -15.806183 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -3.286 flat angles P-C4'-P energy: -4.098 tors. eta vs tors. theta energy: 0.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -21.264099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.264099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.264099 (E_RNA) where: Base-Base interactions energy: -6.569 where: short stacking energy: -6.569 Base-Backbone interact. energy: -0.001 local terms energy: -14.693591 where: bonds (distance) C4'-P energy: -3.152 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.159 flat angles P-C4'-P energy: -2.320 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: 1, replica: 5 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -25.596826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.596826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.596826 (E_RNA) where: Base-Base interactions energy: -7.701 where: short stacking energy: -7.701 Base-Backbone interact. energy: -0.000 local terms energy: -17.895816 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.402 flat angles P-C4'-P energy: -2.217 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: 2, replica: 10 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -25.569943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.569943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.569943 (E_RNA) where: Base-Base interactions energy: -7.174 where: short stacking energy: -7.174 Base-Backbone interact. energy: -0.000 local terms energy: -18.396324 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -3.885 flat angles P-C4'-P energy: -4.012 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: 3, replica: 9 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -24.797808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.797808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.797808 (E_RNA) where: Base-Base interactions energy: -7.819 where: short stacking energy: -7.819 Base-Backbone interact. energy: -0.000 local terms energy: -16.978331 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -4.644 flat angles P-C4'-P energy: -2.454 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: 4, replica: 1 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -24.102533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.102533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.102533 (E_RNA) where: Base-Base interactions energy: -8.812 where: short stacking energy: -8.812 Base-Backbone interact. energy: -0.032 local terms energy: -15.257723 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.678 flat angles C4'-P-C4' energy: -3.307 flat angles P-C4'-P energy: -3.020 tors. eta vs tors. theta energy: 0.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -25.937893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.937893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.937893 (E_RNA) where: Base-Base interactions energy: -7.010 where: short stacking energy: -7.010 Base-Backbone interact. energy: -0.000 local terms energy: -18.927575 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -2.942 flat angles P-C4'-P energy: -3.625 tors. eta vs tors. theta energy: -3.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -23.948050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.948050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.948050 (E_RNA) where: Base-Base interactions energy: -10.204 where: short stacking energy: -10.204 Base-Backbone interact. energy: -0.000 local terms energy: -13.744089 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -2.416 flat angles C4'-P-C4' energy: -4.613 flat angles P-C4'-P energy: 0.277 tors. eta vs tors. theta energy: -2.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -22.249270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.249270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.249270 (E_RNA) where: Base-Base interactions energy: -7.074 where: short stacking energy: -7.074 Base-Backbone interact. energy: -0.036 local terms energy: -15.139983 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.575 flat angles P-C4'-P energy: -2.223 tors. eta vs tors. theta energy: -0.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -20.076837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.076837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.076837 (E_RNA) where: Base-Base interactions energy: -3.948 where: short stacking energy: -3.948 Base-Backbone interact. energy: -0.782 local terms energy: -15.346340 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -3.748 flat angles C4'-P-C4' energy: -4.402 flat angles P-C4'-P energy: -2.251 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: 9, replica: 2 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -18.402736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.402736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.402736 (E_RNA) where: Base-Base interactions energy: -3.108 where: short stacking energy: -3.108 Base-Backbone interact. energy: -0.086 local terms energy: -15.209286 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -1.965 flat angles C4'-P-C4' energy: -4.101 flat angles P-C4'-P energy: -2.367 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: 4 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -20.222482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.222482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.222482 (E_RNA) where: Base-Base interactions energy: -4.310 where: short stacking energy: -4.310 Base-Backbone interact. energy: -0.003 local terms energy: -15.909890 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -4.149 flat angles C4'-P-C4' energy: -4.201 flat angles P-C4'-P energy: -2.698 tors. eta vs tors. theta energy: -1.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -29.160895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.160895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.160895 (E_RNA) where: Base-Base interactions energy: -10.997 where: short stacking energy: -10.997 Base-Backbone interact. energy: -0.000 local terms energy: -18.163491 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -4.394 flat angles P-C4'-P energy: -3.787 tors. eta vs tors. theta energy: -1.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -22.875930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.875930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.875930 (E_RNA) where: Base-Base interactions energy: -6.291 where: short stacking energy: -6.291 Base-Backbone interact. energy: -0.000 local terms energy: -16.584937 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.849 flat angles P-C4'-P energy: -2.510 tors. eta vs tors. theta energy: -1.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -31.538370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.538370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.538370 (E_RNA) where: Base-Base interactions energy: -11.104 where: short stacking energy: -11.104 Base-Backbone interact. energy: -0.000 local terms energy: -20.434249 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.406 flat angles P-C4'-P energy: -3.092 tors. eta vs tors. theta energy: -4.934 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: 6 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -24.147199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.147199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.147199 (E_RNA) where: Base-Base interactions energy: -10.530 where: short stacking energy: -10.530 Base-Backbone interact. energy: -0.082 local terms energy: -13.534376 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -1.423 flat angles P-C4'-P energy: -2.354 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: 1 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -24.237007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.237007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.237007 (E_RNA) where: Base-Base interactions energy: -6.949 where: short stacking energy: -6.949 Base-Backbone interact. energy: -0.000 local terms energy: -17.287711 where: bonds (distance) C4'-P energy: -2.387 bonds (distance) P-C4' energy: -3.781 flat angles C4'-P-C4' energy: -4.494 flat angles P-C4'-P energy: -3.127 tors. eta vs tors. theta energy: -3.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -26.048167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.048167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.048167 (E_RNA) where: Base-Base interactions energy: -8.806 where: short stacking energy: -8.806 Base-Backbone interact. energy: -0.100 local terms energy: -17.142004 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -2.441 flat angles P-C4'-P energy: -3.241 tors. eta vs tors. theta energy: -2.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -22.886665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.886665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.886665 (E_RNA) where: Base-Base interactions energy: -7.494 where: short stacking energy: -7.494 Base-Backbone interact. energy: -0.000 local terms energy: -15.392858 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -3.811 flat angles C4'-P-C4' energy: -4.272 flat angles P-C4'-P energy: -2.591 tors. eta vs tors. theta energy: -1.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -20.511007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.511007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.511007 (E_RNA) where: Base-Base interactions energy: -3.762 where: short stacking energy: -3.762 Base-Backbone interact. energy: -0.001 local terms energy: -16.747866 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.555 flat angles P-C4'-P energy: -3.117 tors. eta vs tors. theta energy: -0.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -21.859751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.859751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.859751 (E_RNA) where: Base-Base interactions energy: -4.816 where: short stacking energy: -4.816 Base-Backbone interact. energy: -0.001 local terms energy: -17.042919 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.455 flat angles P-C4'-P energy: -3.023 tors. eta vs tors. theta energy: -0.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -21.972624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.972624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.972624 (E_RNA) where: Base-Base interactions energy: -7.054 where: short stacking energy: -7.054 Base-Backbone interact. energy: -0.000 local terms energy: -14.918203 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -4.044 flat angles C4'-P-C4' energy: -4.170 flat angles P-C4'-P energy: -1.190 tors. eta vs tors. theta energy: -1.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -32.124529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.124529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.124529 (E_RNA) where: Base-Base interactions energy: -11.727 where: short stacking energy: -11.727 Base-Backbone interact. energy: -0.000 local terms energy: -20.397848 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -3.989 flat angles P-C4'-P energy: -3.594 tors. eta vs tors. theta energy: -3.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -25.273443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.273443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.273443 (E_RNA) where: Base-Base interactions energy: -7.753 where: short stacking energy: -7.753 Base-Backbone interact. energy: -0.000 local terms energy: -17.520459 where: bonds (distance) C4'-P energy: -3.344 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.608 flat angles P-C4'-P energy: -2.285 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: 3, replica: 6 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -25.978488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.978488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.978488 (E_RNA) where: Base-Base interactions energy: -3.420 where: short stacking energy: -3.420 Base-Backbone interact. energy: -0.000 local terms energy: -22.558420 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.888 flat angles P-C4'-P energy: -3.929 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: 10 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -25.015632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.015632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.015632 (E_RNA) where: Base-Base interactions energy: -8.403 where: short stacking energy: -8.403 Base-Backbone interact. energy: -0.028 local terms energy: -16.585076 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -3.959 flat angles P-C4'-P energy: -2.169 tors. eta vs tors. theta energy: -1.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -25.088178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.088178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.088178 (E_RNA) where: Base-Base interactions energy: -7.410 where: short stacking energy: -7.410 Base-Backbone interact. energy: -0.011 local terms energy: -17.666598 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -2.103 flat angles P-C4'-P energy: -3.988 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: 6, replica: 1 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -26.329111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.329111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.329111 (E_RNA) where: Base-Base interactions energy: -9.558 where: short stacking energy: -9.558 Base-Backbone interact. energy: -0.000 local terms energy: -16.771006 where: bonds (distance) C4'-P energy: -3.406 bonds (distance) P-C4' energy: -3.811 flat angles C4'-P-C4' energy: -3.866 flat angles P-C4'-P energy: -2.556 tors. eta vs tors. theta energy: -3.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -25.358308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.358308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.358308 (E_RNA) where: Base-Base interactions energy: -7.493 where: short stacking energy: -7.493 Base-Backbone interact. energy: -0.000 local terms energy: -17.865789 where: bonds (distance) C4'-P energy: -3.789 bonds (distance) P-C4' energy: -4.575 flat angles C4'-P-C4' energy: -4.820 flat angles P-C4'-P energy: -3.624 tors. eta vs tors. theta energy: -1.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -23.064460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.064460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.064460 (E_RNA) where: Base-Base interactions energy: -7.100 where: short stacking energy: -7.100 Base-Backbone interact. energy: -0.000 local terms energy: -15.964550 where: bonds (distance) C4'-P energy: -4.009 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -4.539 flat angles P-C4'-P energy: -1.927 tors. eta vs tors. theta energy: -1.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -19.192368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.192368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.192368 (E_RNA) where: Base-Base interactions energy: -3.423 where: short stacking energy: -3.423 Base-Backbone interact. energy: -0.088 local terms energy: -15.682057 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.590 flat angles P-C4'-P energy: -0.994 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: 10, replica: 8 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -21.640995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.640995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.640995 (E_RNA) where: Base-Base interactions energy: -4.154 where: short stacking energy: -4.154 Base-Backbone interact. energy: -0.001 local terms energy: -17.486252 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.483 flat angles P-C4'-P energy: -3.757 tors. eta vs tors. theta energy: -0.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -26.095971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.095971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.095971 (E_RNA) where: Base-Base interactions energy: -9.871 where: short stacking energy: -9.871 Base-Backbone interact. energy: -0.004 local terms energy: -16.221491 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -1.833 flat angles P-C4'-P energy: -3.643 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: 2, replica: 6 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -25.517148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.517148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.517148 (E_RNA) where: Base-Base interactions energy: -8.301 where: short stacking energy: -8.301 Base-Backbone interact. energy: -0.001 local terms energy: -17.215029 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.767 flat angles P-C4'-P energy: -1.975 tors. eta vs tors. theta energy: -1.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -25.767827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.767827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.767827 (E_RNA) where: Base-Base interactions energy: -7.416 where: short stacking energy: -7.416 Base-Backbone interact. energy: -0.001 local terms energy: -18.350408 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.945 flat angles P-C4'-P energy: -2.335 tors. eta vs tors. theta energy: -2.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -23.244933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.244933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.244933 (E_RNA) where: Base-Base interactions energy: -7.613 where: short stacking energy: -7.613 Base-Backbone interact. energy: -0.000 local terms energy: -15.632403 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -4.413 flat angles C4'-P-C4' energy: -4.485 flat angles P-C4'-P energy: -2.789 tors. eta vs tors. theta energy: -0.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -24.282660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.282660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.282660 (E_RNA) where: Base-Base interactions energy: -7.638 where: short stacking energy: -7.638 Base-Backbone interact. energy: -0.000 local terms energy: -16.644009 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -4.467 flat angles P-C4'-P energy: 0.418 tors. eta vs tors. theta energy: -3.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -23.750273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.750273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.750273 (E_RNA) where: Base-Base interactions energy: -6.329 where: short stacking energy: -6.329 Base-Backbone interact. energy: -0.018 local terms energy: -17.403473 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.905 flat angles P-C4'-P energy: -3.143 tors. eta vs tors. theta energy: -0.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -22.803772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.803772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.803772 (E_RNA) where: Base-Base interactions energy: -5.305 where: short stacking energy: -5.305 Base-Backbone interact. energy: -0.049 local terms energy: -17.449447 where: bonds (distance) C4'-P energy: -2.962 bonds (distance) P-C4' energy: -3.301 flat angles C4'-P-C4' energy: -4.102 flat angles P-C4'-P energy: -3.807 tors. eta vs tors. theta energy: -3.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -22.559737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.559737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.559737 (E_RNA) where: Base-Base interactions energy: -7.699 where: short stacking energy: -7.699 Base-Backbone interact. energy: -0.003 local terms energy: -14.858164 where: bonds (distance) C4'-P energy: -1.604 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.164 flat angles P-C4'-P energy: -3.374 tors. eta vs tors. theta energy: -0.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -24.826322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.826322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.826322 (E_RNA) where: Base-Base interactions energy: -11.726 where: short stacking energy: -11.726 Base-Backbone interact. energy: -0.000 local terms energy: -13.099634 where: bonds (distance) C4'-P energy: -3.673 bonds (distance) P-C4' energy: -1.170 flat angles C4'-P-C4' energy: -4.201 flat angles P-C4'-P energy: -1.637 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: 10, replica: 8 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -20.636900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.636900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.636900 (E_RNA) where: Base-Base interactions energy: -3.951 where: short stacking energy: -3.951 Base-Backbone interact. energy: -0.002 local terms energy: -16.683845 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -4.279 flat angles P-C4'-P energy: -2.576 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: 1, replica: 6 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -24.528861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.528861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.528861 (E_RNA) where: Base-Base interactions energy: -6.920 where: short stacking energy: -6.920 Base-Backbone interact. energy: -0.008 local terms energy: -17.600770 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -3.374 flat angles P-C4'-P energy: -3.758 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: 9 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -25.335736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.335736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.335736 (E_RNA) where: Base-Base interactions energy: -8.048 where: short stacking energy: -8.048 Base-Backbone interact. energy: -0.000 local terms energy: -17.287382 where: bonds (distance) C4'-P energy: -3.451 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.210 flat angles P-C4'-P energy: -3.277 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: 7 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -25.959368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.959368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.959368 (E_RNA) where: Base-Base interactions energy: -8.216 where: short stacking energy: -8.216 Base-Backbone interact. energy: -0.000 local terms energy: -17.743626 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.835 flat angles P-C4'-P energy: -2.199 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: 4, replica: 5 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -28.237215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.237215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.237215 (E_RNA) where: Base-Base interactions energy: -7.826 where: short stacking energy: -7.826 Base-Backbone interact. energy: -0.000 local terms energy: -20.411122 where: bonds (distance) C4'-P energy: -3.185 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.820 flat angles P-C4'-P energy: -3.806 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: 5, replica: 2 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -25.546523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.546523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.546523 (E_RNA) where: Base-Base interactions energy: -8.847 where: short stacking energy: -8.847 Base-Backbone interact. energy: -0.000 local terms energy: -16.699295 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.364 flat angles P-C4'-P energy: -3.227 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: 388 Temperature: 1.150000 Total energy: -22.781443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.781443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.781443 (E_RNA) where: Base-Base interactions energy: -7.981 where: short stacking energy: -7.981 Base-Backbone interact. energy: -0.005 local terms energy: -14.795239 where: bonds (distance) C4'-P energy: -3.264 bonds (distance) P-C4' energy: -4.311 flat angles C4'-P-C4' energy: -2.788 flat angles P-C4'-P energy: -3.340 tors. eta vs tors. theta energy: -1.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -28.578354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.578354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.578354 (E_RNA) where: Base-Base interactions energy: -10.544 where: short stacking energy: -10.544 Base-Backbone interact. energy: -0.000 local terms energy: -18.034064 where: bonds (distance) C4'-P energy: -3.070 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.276 flat angles P-C4'-P energy: -3.070 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: 4 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -20.319883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.319883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.319883 (E_RNA) where: Base-Base interactions energy: -3.653 where: short stacking energy: -3.653 Base-Backbone interact. energy: -0.003 local terms energy: -16.664429 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.207 flat angles P-C4'-P energy: -3.496 tors. eta vs tors. theta energy: -0.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -25.371845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.371845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.371845 (E_RNA) where: Base-Base interactions energy: -8.279 where: short stacking energy: -8.279 Base-Backbone interact. energy: -0.000 local terms energy: -17.092632 where: bonds (distance) C4'-P energy: -1.613 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.736 flat angles P-C4'-P energy: -2.673 tors. eta vs tors. theta energy: -2.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -26.152556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.152556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.152556 (E_RNA) where: Base-Base interactions energy: -9.006 where: short stacking energy: -9.006 Base-Backbone interact. energy: -0.000 local terms energy: -17.146025 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.172 flat angles P-C4'-P energy: -2.873 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: 1, replica: 6 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -27.614509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.614509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.614509 (E_RNA) where: Base-Base interactions energy: -11.903 where: short stacking energy: -11.903 Base-Backbone interact. energy: -0.000 local terms energy: -15.711582 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.417 flat angles C4'-P-C4' energy: -3.940 flat angles P-C4'-P energy: -3.005 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: 2, replica: 7 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -25.124211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.124211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.124211 (E_RNA) where: Base-Base interactions energy: -8.789 where: short stacking energy: -8.789 Base-Backbone interact. energy: -0.000 local terms energy: -16.334890 where: bonds (distance) C4'-P energy: -3.194 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.797 flat angles P-C4'-P energy: -2.022 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: 3, replica: 9 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -24.003764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.003764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.003764 (E_RNA) where: Base-Base interactions energy: -5.397 where: short stacking energy: -5.397 Base-Backbone interact. energy: -0.000 local terms energy: -18.605847 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.955 flat angles P-C4'-P energy: -1.896 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: 4, replica: 2 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -27.137111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.137111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.137111 (E_RNA) where: Base-Base interactions energy: -8.246 where: short stacking energy: -8.246 Base-Backbone interact. energy: -0.000 local terms energy: -18.890818 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -3.391 flat angles P-C4'-P energy: -3.626 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: 5, replica: 5 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -22.549785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.549785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.549785 (E_RNA) where: Base-Base interactions energy: -6.981 where: short stacking energy: -6.981 Base-Backbone interact. energy: -0.000 local terms energy: -15.568954 where: bonds (distance) C4'-P energy: -2.503 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.679 flat angles P-C4'-P energy: -2.709 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: 6, replica: 1 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -23.783380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.783380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.783380 (E_RNA) where: Base-Base interactions energy: -7.884 where: short stacking energy: -7.884 Base-Backbone interact. energy: -0.001 local terms energy: -15.899148 where: bonds (distance) C4'-P energy: -2.556 bonds (distance) P-C4' energy: -4.839 flat angles C4'-P-C4' energy: -3.246 flat angles P-C4'-P energy: -2.821 tors. eta vs tors. theta energy: -2.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -19.800156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.800156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.800156 (E_RNA) where: Base-Base interactions energy: -5.714 where: short stacking energy: -5.714 Base-Backbone interact. energy: -0.074 local terms energy: -14.012388 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -2.619 flat angles C4'-P-C4' energy: -4.614 flat angles P-C4'-P energy: -1.925 tors. eta vs tors. theta energy: -0.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -20.094134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.094134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.094134 (E_RNA) where: Base-Base interactions energy: -3.533 where: short stacking energy: -3.533 Base-Backbone interact. energy: -0.000 local terms energy: -16.560793 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.165 flat angles P-C4'-P energy: -3.058 tors. eta vs tors. theta energy: -0.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -20.480041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.480041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.480041 (E_RNA) where: Base-Base interactions energy: -4.385 where: short stacking energy: -4.385 Base-Backbone interact. energy: -0.001 local terms energy: -16.093275 where: bonds (distance) C4'-P energy: -2.697 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.471 flat angles P-C4'-P energy: -3.681 tors. eta vs tors. theta energy: 0.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -22.142796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.142796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.142796 (E_RNA) where: Base-Base interactions energy: -7.035 where: short stacking energy: -7.035 Base-Backbone interact. energy: -0.000 local terms energy: -15.107904 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.626 flat angles P-C4'-P energy: -1.627 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: 1, replica: 7 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -32.692769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.692769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.692769 (E_RNA) where: Base-Base interactions energy: -11.534 where: short stacking energy: -11.534 Base-Backbone interact. energy: -0.000 local terms energy: -21.158892 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.114 flat angles P-C4'-P energy: -2.991 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: 6 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -28.606501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.606501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.606501 (E_RNA) where: Base-Base interactions energy: -8.958 where: short stacking energy: -8.958 Base-Backbone interact. energy: -0.000 local terms energy: -19.648663 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.417 flat angles P-C4'-P energy: -2.836 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: 3, replica: 2 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -26.519974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.519974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.519974 (E_RNA) where: Base-Base interactions energy: -8.120 where: short stacking energy: -8.120 Base-Backbone interact. energy: -0.000 local terms energy: -18.400015 where: bonds (distance) C4'-P energy: -3.148 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.029 flat angles P-C4'-P energy: -2.682 tors. eta vs tors. theta energy: -3.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -25.714340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.714340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.714340 (E_RNA) where: Base-Base interactions energy: -8.862 where: short stacking energy: -8.862 Base-Backbone interact. energy: -0.000 local terms energy: -16.851962 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -2.944 flat angles C4'-P-C4' energy: -3.728 flat angles P-C4'-P energy: -3.022 tors. eta vs tors. theta energy: -2.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -23.881588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.881588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.881588 (E_RNA) where: Base-Base interactions energy: -7.688 where: short stacking energy: -4.818 Base-Backbone interact. energy: -0.145 local terms energy: -16.048215 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.503 flat angles P-C4'-P energy: -1.757 tors. eta vs tors. theta energy: -1.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -25.684767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.684767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.684767 (E_RNA) where: Base-Base interactions energy: -10.442 where: short stacking energy: -10.442 Base-Backbone interact. energy: -0.000 local terms energy: -15.242664 where: bonds (distance) C4'-P energy: -3.861 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -2.441 flat angles P-C4'-P energy: -3.229 tors. eta vs tors. theta energy: -0.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -20.798069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.798069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.798069 (E_RNA) where: Base-Base interactions energy: -3.578 where: short stacking energy: -3.578 Base-Backbone interact. energy: -0.000 local terms energy: -17.219723 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -4.572 flat angles C4'-P-C4' energy: -4.258 flat angles P-C4'-P energy: -1.521 tors. eta vs tors. theta energy: -2.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -28.381278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.381278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.381278 (E_RNA) where: Base-Base interactions energy: -10.063 where: short stacking energy: -10.063 Base-Backbone interact. energy: -0.000 local terms energy: -18.318120 where: bonds (distance) C4'-P energy: -2.423 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.294 flat angles P-C4'-P energy: -2.710 tors. eta vs tors. theta energy: -4.009 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: 3 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -22.371848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.371848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.371848 (E_RNA) where: Base-Base interactions energy: -6.974 where: short stacking energy: -6.974 Base-Backbone interact. energy: -0.036 local terms energy: -15.361660 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -3.364 flat angles C4'-P-C4' energy: -2.502 flat angles P-C4'-P energy: -3.015 tors. eta vs tors. theta energy: -2.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -20.634948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.634948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.634948 (E_RNA) where: Base-Base interactions energy: -6.072 where: short stacking energy: -6.072 Base-Backbone interact. energy: -0.000 local terms energy: -14.562669 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -4.149 flat angles C4'-P-C4' energy: -4.419 flat angles P-C4'-P energy: -1.896 tors. eta vs tors. theta energy: -0.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -31.476876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.476876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.476876 (E_RNA) where: Base-Base interactions energy: -12.782 where: short stacking energy: -12.782 Base-Backbone interact. energy: -0.000 local terms energy: -18.694623 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.957 flat angles P-C4'-P energy: -2.504 tors. eta vs tors. theta energy: -3.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -29.032467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.032467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.032467 (E_RNA) where: Base-Base interactions energy: -9.940 where: short stacking energy: -9.940 Base-Backbone interact. energy: -0.000 local terms energy: -19.091988 where: bonds (distance) C4'-P energy: -3.335 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.858 flat angles P-C4'-P energy: -2.572 tors. eta vs tors. theta energy: -4.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -29.140883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.140883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.140883 (E_RNA) where: Base-Base interactions energy: -9.711 where: short stacking energy: -9.711 Base-Backbone interact. energy: -0.000 local terms energy: -19.430029 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.579 flat angles C4'-P-C4' energy: -3.176 flat angles P-C4'-P energy: -2.392 tors. eta vs tors. theta energy: -4.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -24.397426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.397426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.397426 (E_RNA) where: Base-Base interactions energy: -8.316 where: short stacking energy: -8.316 Base-Backbone interact. energy: -0.000 local terms energy: -16.081782 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -2.481 flat angles P-C4'-P energy: -2.569 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: 9 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -23.322045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.322045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.322045 (E_RNA) where: Base-Base interactions energy: -6.618 where: short stacking energy: -6.618 Base-Backbone interact. energy: -0.000 local terms energy: -16.704007 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.398 flat angles P-C4'-P energy: -2.972 tors. eta vs tors. theta energy: -0.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -28.249759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.249759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.249759 (E_RNA) where: Base-Base interactions energy: -10.531 where: short stacking energy: -10.531 Base-Backbone interact. energy: -0.000 local terms energy: -17.718952 where: bonds (distance) C4'-P energy: -1.993 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -4.750 flat angles P-C4'-P energy: -3.635 tors. eta vs tors. theta energy: -2.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -21.914550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.914550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.914550 (E_RNA) where: Base-Base interactions energy: -6.446 where: short stacking energy: -6.446 Base-Backbone interact. energy: -0.028 local terms energy: -15.440830 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.404 flat angles P-C4'-P energy: -0.952 tors. eta vs tors. theta energy: -1.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -19.892295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.892295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.892295 (E_RNA) where: Base-Base interactions energy: -6.386 where: short stacking energy: -6.386 Base-Backbone interact. energy: -0.001 local terms energy: -13.505403 where: bonds (distance) C4'-P energy: -1.873 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -4.172 flat angles P-C4'-P energy: -3.359 tors. eta vs tors. theta energy: 0.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -20.612538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.612538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.612538 (E_RNA) where: Base-Base interactions energy: -6.938 where: short stacking energy: -6.938 Base-Backbone interact. energy: -0.081 local terms energy: -13.593887 where: bonds (distance) C4'-P energy: -2.812 bonds (distance) P-C4' energy: -2.029 flat angles C4'-P-C4' energy: -3.691 flat angles P-C4'-P energy: -2.478 tors. eta vs tors. theta energy: -2.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -21.960973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.960973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.960973 (E_RNA) where: Base-Base interactions energy: -9.508 where: short stacking energy: -9.508 Base-Backbone interact. energy: -0.000 local terms energy: -12.453159 where: bonds (distance) C4'-P energy: -1.944 bonds (distance) P-C4' energy: -4.413 flat angles C4'-P-C4' energy: -4.489 flat angles P-C4'-P energy: -1.719 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: 7 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -27.750457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.750457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.750457 (E_RNA) where: Base-Base interactions energy: -10.561 where: short stacking energy: -10.561 Base-Backbone interact. energy: -0.014 local terms energy: -17.175031 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -3.087 flat angles P-C4'-P energy: -2.913 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: 2, replica: 2 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -28.242572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.242572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.242572 (E_RNA) where: Base-Base interactions energy: -6.265 where: short stacking energy: -6.265 Base-Backbone interact. energy: -0.000 local terms energy: -21.977982 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.695 flat angles P-C4'-P energy: -3.115 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: 3, replica: 6 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -26.103352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.103352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.103352 (E_RNA) where: Base-Base interactions energy: -10.678 where: short stacking energy: -10.678 Base-Backbone interact. energy: -0.000 local terms energy: -15.425169 where: bonds (distance) C4'-P energy: -3.272 bonds (distance) P-C4' energy: -2.842 flat angles C4'-P-C4' energy: -3.852 flat angles P-C4'-P energy: -3.157 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: 4, replica: 1 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -23.533251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.533251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.533251 (E_RNA) where: Base-Base interactions energy: -7.445 where: short stacking energy: -7.745 Base-Backbone interact. energy: -0.232 local terms energy: -15.856149 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -3.347 flat angles P-C4'-P energy: -3.708 tors. eta vs tors. theta energy: -0.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -22.686254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.686254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.686254 (E_RNA) where: Base-Base interactions energy: -5.816 where: short stacking energy: -5.816 Base-Backbone interact. energy: -0.000 local terms energy: -16.869801 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.185 flat angles P-C4'-P energy: -1.942 tors. eta vs tors. theta energy: -1.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -22.384529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.384529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.384529 (E_RNA) where: Base-Base interactions energy: -6.138 where: short stacking energy: -6.138 Base-Backbone interact. energy: -1.054 local terms energy: -15.192463 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -3.290 flat angles C4'-P-C4' energy: -3.991 flat angles P-C4'-P energy: -2.790 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: 7, replica: 8 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -26.041652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.041652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.041652 (E_RNA) where: Base-Base interactions energy: -8.967 where: short stacking energy: -8.967 Base-Backbone interact. energy: -0.000 local terms energy: -17.075116 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.420 flat angles C4'-P-C4' energy: -3.604 flat angles P-C4'-P energy: -1.325 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: 8, replica: 3 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -20.897311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.897311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.897311 (E_RNA) where: Base-Base interactions energy: -3.769 where: short stacking energy: -3.769 Base-Backbone interact. energy: -0.001 local terms energy: -17.127274 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -2.696 flat angles P-C4'-P energy: -3.522 tors. eta vs tors. theta energy: -1.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -20.192652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.192652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.192652 (E_RNA) where: Base-Base interactions energy: -5.783 where: short stacking energy: -5.783 Base-Backbone interact. energy: -0.000 local terms energy: -14.409739 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -4.413 flat angles C4'-P-C4' energy: -4.589 flat angles P-C4'-P energy: -0.890 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: 10, replica: 10 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -22.952271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.952271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.952271 (E_RNA) where: Base-Base interactions energy: -4.866 where: short stacking energy: -4.866 Base-Backbone interact. energy: -0.000 local terms energy: -18.086746 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.692 flat angles P-C4'-P energy: -3.368 tors. eta vs tors. theta energy: -2.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -24.522889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.522889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.522889 (E_RNA) where: Base-Base interactions energy: -7.796 where: short stacking energy: -8.073 Base-Backbone interact. energy: -0.009 local terms energy: -16.717722 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.713 flat angles P-C4'-P energy: -3.151 tors. eta vs tors. theta energy: -0.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -27.335182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.335182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.335182 (E_RNA) where: Base-Base interactions energy: -8.521 where: short stacking energy: -8.521 Base-Backbone interact. energy: -0.000 local terms energy: -18.813887 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.909 flat angles P-C4'-P energy: -1.770 tors. eta vs tors. theta energy: -3.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -25.391111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.391111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.391111 (E_RNA) where: Base-Base interactions energy: -8.268 where: short stacking energy: -8.268 Base-Backbone interact. energy: -0.000 local terms energy: -17.122830 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.604 flat angles P-C4'-P energy: -2.236 tors. eta vs tors. theta energy: -2.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -25.603038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.603038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.603038 (E_RNA) where: Base-Base interactions energy: -7.198 where: short stacking energy: -7.198 Base-Backbone interact. energy: -0.001 local terms energy: -18.403907 where: bonds (distance) C4'-P energy: -4.341 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.449 flat angles P-C4'-P energy: -3.080 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: 5, replica: 1 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -25.350901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.350901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.350901 (E_RNA) where: Base-Base interactions energy: -7.998 where: short stacking energy: -7.998 Base-Backbone interact. energy: -0.000 local terms energy: -17.353248 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -2.623 flat angles P-C4'-P energy: -3.326 tors. eta vs tors. theta energy: -2.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -24.439102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.439102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.439102 (E_RNA) where: Base-Base interactions energy: -6.958 where: short stacking energy: -6.958 Base-Backbone interact. energy: -0.013 local terms energy: -17.468064 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.176 flat angles P-C4'-P energy: -3.318 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: 7, replica: 8 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -22.163165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.163165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.163165 (E_RNA) where: Base-Base interactions energy: -5.776 where: short stacking energy: -5.776 Base-Backbone interact. energy: -0.000 local terms energy: -16.387621 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.082 flat angles C4'-P-C4' energy: -3.757 flat angles P-C4'-P energy: -3.425 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: 8, replica: 4 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -20.407107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.407107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.407107 (E_RNA) where: Base-Base interactions energy: -3.848 where: short stacking energy: -3.848 Base-Backbone interact. energy: -0.001 local terms energy: -16.558377 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.419 flat angles P-C4'-P energy: -2.154 tors. eta vs tors. theta energy: -1.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -22.482310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.482310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.482310 (E_RNA) where: Base-Base interactions energy: -3.201 where: short stacking energy: -3.201 Base-Backbone interact. energy: -0.001 local terms energy: -19.279694 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.091 flat angles P-C4'-P energy: -3.155 tors. eta vs tors. theta energy: -3.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -20.380770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.380770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.380770 (E_RNA) where: Base-Base interactions energy: -4.293 where: short stacking energy: -4.293 Base-Backbone interact. energy: -0.000 local terms energy: -16.087363 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -2.671 flat angles P-C4'-P energy: -3.051 tors. eta vs tors. theta energy: -1.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -27.476033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.476033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.476033 (E_RNA) where: Base-Base interactions energy: -7.512 where: short stacking energy: -7.512 Base-Backbone interact. energy: -0.010 local terms energy: -19.954327 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.693 flat angles P-C4'-P energy: -4.024 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: 2, replica: 7 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -25.678157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.678157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.678157 (E_RNA) where: Base-Base interactions energy: -11.373 where: short stacking energy: -11.373 Base-Backbone interact. energy: -0.004 local terms energy: -14.300736 where: bonds (distance) C4'-P energy: -1.170 bonds (distance) P-C4' energy: -4.631 flat angles C4'-P-C4' energy: -4.595 flat angles P-C4'-P energy: -3.063 tors. eta vs tors. theta energy: -0.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -29.650513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.650513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.650513 (E_RNA) where: Base-Base interactions energy: -11.291 where: short stacking energy: -11.291 Base-Backbone interact. energy: -0.000 local terms energy: -18.359536 where: bonds (distance) C4'-P energy: -3.053 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.031 flat angles P-C4'-P energy: -2.924 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: 4, replica: 2 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -25.034645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.034645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.034645 (E_RNA) where: Base-Base interactions energy: -7.396 where: short stacking energy: -7.396 Base-Backbone interact. energy: -0.006 local terms energy: -17.632967 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.467 flat angles P-C4'-P energy: -3.376 tors. eta vs tors. theta energy: -0.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -28.273840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.273840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.273840 (E_RNA) where: Base-Base interactions energy: -8.343 where: short stacking energy: -8.343 Base-Backbone interact. energy: -0.000 local terms energy: -19.930682 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.516 flat angles P-C4'-P energy: -3.683 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: 6, replica: 1 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -24.814112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.814112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.814112 (E_RNA) where: Base-Base interactions energy: -7.613 where: short stacking energy: -7.613 Base-Backbone interact. energy: -0.000 local terms energy: -17.200957 where: bonds (distance) C4'-P energy: -3.789 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -3.991 flat angles P-C4'-P energy: -3.036 tors. eta vs tors. theta energy: -1.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -21.170483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.170483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.170483 (E_RNA) where: Base-Base interactions energy: -6.849 where: short stacking energy: -6.849 Base-Backbone interact. energy: -0.001 local terms energy: -14.320078 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.695 flat angles P-C4'-P energy: -0.720 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: 394 Temperature: 1.250000 Total energy: -22.109775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.109775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.109775 (E_RNA) where: Base-Base interactions energy: -6.470 where: short stacking energy: -6.470 Base-Backbone interact. energy: -0.000 local terms energy: -15.640216 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -2.839 flat angles C4'-P-C4' energy: -4.856 flat angles P-C4'-P energy: -3.007 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: 9, replica: 10 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -20.592553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.592553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.592553 (E_RNA) where: Base-Base interactions energy: -3.786 where: short stacking energy: -3.786 Base-Backbone interact. energy: -0.013 local terms energy: -16.792998 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -0.911 flat angles P-C4'-P energy: -3.647 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: 10, replica: 3 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -20.485621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.485621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.485621 (E_RNA) where: Base-Base interactions energy: -5.929 where: short stacking energy: -5.929 Base-Backbone interact. energy: -0.000 local terms energy: -14.556695 where: bonds (distance) C4'-P energy: -2.672 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.409 flat angles P-C4'-P energy: -3.289 tors. eta vs tors. theta energy: -0.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -25.333515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.333515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.333515 (E_RNA) where: Base-Base interactions energy: -8.577 where: short stacking energy: -8.577 Base-Backbone interact. energy: -0.004 local terms energy: -16.752540 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.922 flat angles P-C4'-P energy: -2.955 tors. eta vs tors. theta energy: -0.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -24.931930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.931930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.931930 (E_RNA) where: Base-Base interactions energy: -7.890 where: short stacking energy: -7.890 Base-Backbone interact. energy: -0.099 local terms energy: -16.943087 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.835 flat angles P-C4'-P energy: -2.360 tors. eta vs tors. theta energy: -0.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -20.875879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.875879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.875879 (E_RNA) where: Base-Base interactions energy: -4.280 where: short stacking energy: -4.280 Base-Backbone interact. energy: -0.001 local terms energy: -16.595211 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.717 flat angles P-C4'-P energy: -2.497 tors. eta vs tors. theta energy: -0.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -23.069911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.069911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.069911 (E_RNA) where: Base-Base interactions energy: -5.385 where: short stacking energy: -5.385 Base-Backbone interact. energy: -0.038 local terms energy: -17.646926 where: bonds (distance) C4'-P energy: -3.977 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.820 flat angles P-C4'-P energy: -3.517 tors. eta vs tors. theta energy: -0.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -24.539403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.539403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.539403 (E_RNA) where: Base-Base interactions energy: -8.052 where: short stacking energy: -8.052 Base-Backbone interact. energy: -0.000 local terms energy: -16.486992 where: bonds (distance) C4'-P energy: -2.209 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.305 flat angles P-C4'-P energy: -3.605 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: 6, replica: 8 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -21.919271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.919271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.919271 (E_RNA) where: Base-Base interactions energy: -6.667 where: short stacking energy: -6.667 Base-Backbone interact. energy: -0.007 local terms energy: -15.245709 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -2.493 flat angles P-C4'-P energy: -2.734 tors. eta vs tors. theta energy: -1.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -20.472626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.472626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.472626 (E_RNA) where: Base-Base interactions energy: -3.580 where: short stacking energy: -3.580 Base-Backbone interact. energy: -0.001 local terms energy: -16.891993 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -2.798 flat angles P-C4'-P energy: -3.503 tors. eta vs tors. theta energy: -1.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -25.136650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.136650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.136650 (E_RNA) where: Base-Base interactions energy: -7.700 where: short stacking energy: -7.700 Base-Backbone interact. energy: -0.101 local terms energy: -17.335770 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -3.889 flat angles C4'-P-C4' energy: -4.135 flat angles P-C4'-P energy: -2.683 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: 9, replica: 4 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -20.243829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.243829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.243829 (E_RNA) where: Base-Base interactions energy: -3.453 where: short stacking energy: -3.453 Base-Backbone interact. energy: -0.000 local terms energy: -16.790745 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.697 flat angles P-C4'-P energy: -1.113 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: 10, replica: 3 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -21.298749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.298749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.298749 (E_RNA) where: Base-Base interactions energy: -3.297 where: short stacking energy: -3.297 Base-Backbone interact. energy: -0.002 local terms energy: -17.999948 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.343 flat angles C4'-P-C4' energy: -4.681 flat angles P-C4'-P energy: -3.532 tors. eta vs tors. theta energy: -0.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -28.473943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.473943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.473943 (E_RNA) where: Base-Base interactions energy: -10.902 where: short stacking energy: -10.902 Base-Backbone interact. energy: -0.000 local terms energy: -17.571862 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.729 flat angles P-C4'-P energy: -2.137 tors. eta vs tors. theta energy: -2.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -26.334398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.334398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.334398 (E_RNA) where: Base-Base interactions energy: -7.794 where: short stacking energy: -7.794 Base-Backbone interact. energy: -0.001 local terms energy: -18.540084 where: bonds (distance) C4'-P energy: -3.947 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -3.677 flat angles P-C4'-P energy: -3.757 tors. eta vs tors. theta energy: -2.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -27.455798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.455798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.455798 (E_RNA) where: Base-Base interactions energy: -10.467 where: short stacking energy: -10.467 Base-Backbone interact. energy: -0.000 local terms energy: -16.988817 where: bonds (distance) C4'-P energy: -3.152 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -3.619 flat angles P-C4'-P energy: -3.873 tors. eta vs tors. theta energy: -1.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -21.537721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.537721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.537721 (E_RNA) where: Base-Base interactions energy: -6.288 where: short stacking energy: -6.288 Base-Backbone interact. energy: -0.000 local terms energy: -15.249781 where: bonds (distance) C4'-P energy: -2.564 bonds (distance) P-C4' energy: -4.078 flat angles C4'-P-C4' energy: -3.818 flat angles P-C4'-P energy: -3.059 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: 5, replica: 8 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -26.511353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.511353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.511353 (E_RNA) where: Base-Base interactions energy: -7.317 where: short stacking energy: -7.317 Base-Backbone interact. energy: -0.008 local terms energy: -19.186283 where: bonds (distance) C4'-P energy: -3.479 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.835 flat angles P-C4'-P energy: -3.984 tors. eta vs tors. theta energy: -2.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -25.207295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.207295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.207295 (E_RNA) where: Base-Base interactions energy: -9.091 where: short stacking energy: -9.091 Base-Backbone interact. energy: -0.003 local terms energy: -16.112605 where: bonds (distance) C4'-P energy: -2.697 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.059 flat angles P-C4'-P energy: -1.989 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: 10 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -22.423739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.423739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.423739 (E_RNA) where: Base-Base interactions energy: -4.978 where: short stacking energy: -4.978 Base-Backbone interact. energy: -0.069 local terms energy: -17.376567 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -4.540 flat angles P-C4'-P energy: -2.620 tors. eta vs tors. theta energy: -1.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -18.214436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.214436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.214436 (E_RNA) where: Base-Base interactions energy: -3.668 where: short stacking energy: -3.668 Base-Backbone interact. energy: -0.005 local terms energy: -14.540911 where: bonds (distance) C4'-P energy: -3.451 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.377 flat angles P-C4'-P energy: -1.561 tors. eta vs tors. theta energy: -0.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -20.486580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.486580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.486580 (E_RNA) where: Base-Base interactions energy: -5.580 where: short stacking energy: -5.580 Base-Backbone interact. energy: -0.006 local terms energy: -14.900631 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -3.342 flat angles P-C4'-P energy: -3.407 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: 10, replica: 4 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -21.888072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.888072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.888072 (E_RNA) where: Base-Base interactions energy: -4.437 where: short stacking energy: -4.437 Base-Backbone interact. energy: -0.000 local terms energy: -17.451120 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.099 flat angles P-C4'-P energy: -2.400 tors. eta vs tors. theta energy: -2.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -26.757628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.757628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.757628 (E_RNA) where: Base-Base interactions energy: -9.339 where: short stacking energy: -9.339 Base-Backbone interact. energy: -0.000 local terms energy: -17.418397 where: bonds (distance) C4'-P energy: -2.448 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.409 flat angles P-C4'-P energy: -2.687 tors. eta vs tors. theta energy: -3.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -25.211262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.211262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.211262 (E_RNA) where: Base-Base interactions energy: -7.285 where: short stacking energy: -7.285 Base-Backbone interact. energy: -0.000 local terms energy: -17.925804 where: bonds (distance) C4'-P energy: -2.900 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.256 flat angles P-C4'-P energy: -3.690 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: 3, replica: 6 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -26.294295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.294295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.294295 (E_RNA) where: Base-Base interactions energy: -9.632 where: short stacking energy: -9.632 Base-Backbone interact. energy: -0.000 local terms energy: -16.661780 where: bonds (distance) C4'-P energy: -3.708 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -3.972 flat angles P-C4'-P energy: -2.167 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: 8 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -24.807742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.807742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.807742 (E_RNA) where: Base-Base interactions energy: -6.254 where: short stacking energy: -6.254 Base-Backbone interact. energy: -0.003 local terms energy: -18.551103 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.521 flat angles P-C4'-P energy: -1.494 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: 5, replica: 7 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -21.026566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.026566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.026566 (E_RNA) where: Base-Base interactions energy: -4.656 where: short stacking energy: -4.656 Base-Backbone interact. energy: -0.046 local terms energy: -16.324142 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -2.858 flat angles P-C4'-P energy: -3.759 tors. eta vs tors. theta energy: -0.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -29.202161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.202161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.202161 (E_RNA) where: Base-Base interactions energy: -10.942 where: short stacking energy: -10.942 Base-Backbone interact. energy: -0.001 local terms energy: -18.259440 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -3.987 flat angles C4'-P-C4' energy: -3.654 flat angles P-C4'-P energy: -3.254 tors. eta vs tors. theta energy: -3.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -20.736909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.736909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.736909 (E_RNA) where: Base-Base interactions energy: -4.646 where: short stacking energy: -4.646 Base-Backbone interact. energy: -0.080 local terms energy: -16.011437 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -3.981 flat angles C4'-P-C4' energy: -4.118 flat angles P-C4'-P energy: -2.490 tors. eta vs tors. theta energy: -0.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -22.456417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.456417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.456417 (E_RNA) where: Base-Base interactions energy: -4.605 where: short stacking energy: -4.605 Base-Backbone interact. energy: -0.000 local terms energy: -17.851053 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -3.790 flat angles C4'-P-C4' energy: -3.938 flat angles P-C4'-P energy: -2.988 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: 9, replica: 1 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -19.218306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.218306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.218306 (E_RNA) where: Base-Base interactions energy: -5.346 where: short stacking energy: -5.346 Base-Backbone interact. energy: -0.004 local terms energy: -13.869097 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.589 flat angles P-C4'-P energy: -0.663 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: 10, replica: 4 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -23.529739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.529739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.529739 (E_RNA) where: Base-Base interactions energy: -6.870 where: short stacking energy: -6.870 Base-Backbone interact. energy: -0.106 local terms energy: -16.553680 where: bonds (distance) C4'-P energy: -2.395 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -2.995 flat angles P-C4'-P energy: -3.987 tors. eta vs tors. theta energy: -2.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -28.102260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.102260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.102260 (E_RNA) where: Base-Base interactions energy: -8.889 where: short stacking energy: -8.889 Base-Backbone interact. energy: -0.000 local terms energy: -19.213273 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.836 flat angles P-C4'-P energy: -3.525 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: 2, replica: 5 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -24.009133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.009133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.009133 (E_RNA) where: Base-Base interactions energy: -6.953 where: short stacking energy: -6.953 Base-Backbone interact. energy: -0.002 local terms energy: -17.054603 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.436 flat angles P-C4'-P energy: -2.136 tors. eta vs tors. theta energy: -0.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -26.981376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.981376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.981376 (E_RNA) where: Base-Base interactions energy: -7.431 where: short stacking energy: -7.431 Base-Backbone interact. energy: -0.004 local terms energy: -19.546843 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.222 flat angles P-C4'-P energy: -3.234 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: 4, replica: 6 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -28.263989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.263989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.263989 (E_RNA) where: Base-Base interactions energy: -11.070 where: short stacking energy: -11.070 Base-Backbone interact. energy: -0.000 local terms energy: -17.193578 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.201 flat angles P-C4'-P energy: -2.622 tors. eta vs tors. theta energy: -2.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -24.734137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.734137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.734137 (E_RNA) where: Base-Base interactions energy: -6.427 where: short stacking energy: -6.427 Base-Backbone interact. energy: -0.000 local terms energy: -18.306827 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.916 flat angles P-C4'-P energy: -3.441 tors. eta vs tors. theta energy: -1.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -23.894697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.894697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.894697 (E_RNA) where: Base-Base interactions energy: -7.131 where: short stacking energy: -7.131 Base-Backbone interact. energy: -0.000 local terms energy: -16.763538 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -4.395 flat angles C4'-P-C4' energy: -3.783 flat angles P-C4'-P energy: -1.807 tors. eta vs tors. theta energy: -3.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -22.635980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.635980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.635980 (E_RNA) where: Base-Base interactions energy: -4.100 where: short stacking energy: -4.100 Base-Backbone interact. energy: -0.485 local terms energy: -18.050857 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.546 flat angles P-C4'-P energy: -3.373 tors. eta vs tors. theta energy: -3.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -25.403570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.403570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.403570 (E_RNA) where: Base-Base interactions energy: -8.748 where: short stacking energy: -8.748 Base-Backbone interact. energy: -0.000 local terms energy: -16.655622 where: bonds (distance) C4'-P energy: -3.264 bonds (distance) P-C4' energy: -3.969 flat angles C4'-P-C4' energy: -3.912 flat angles P-C4'-P energy: -2.556 tors. eta vs tors. theta energy: -2.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -21.568522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.568522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.568522 (E_RNA) where: Base-Base interactions energy: -7.897 where: short stacking energy: -7.967 Base-Backbone interact. energy: -0.000 local terms energy: -13.671164 where: bonds (distance) C4'-P energy: -1.935 bonds (distance) P-C4' energy: -3.916 flat angles C4'-P-C4' energy: -4.589 flat angles P-C4'-P energy: -1.725 tors. eta vs tors. theta energy: -1.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -20.815687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.815687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.815687 (E_RNA) where: Base-Base interactions energy: -3.713 where: short stacking energy: -3.713 Base-Backbone interact. energy: -0.000 local terms energy: -17.102282 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -2.566 flat angles P-C4'-P energy: -3.076 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: 1, replica: 9 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -25.920154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.920154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.920154 (E_RNA) where: Base-Base interactions energy: -8.747 where: short stacking energy: -8.747 Base-Backbone interact. energy: 1.402 local terms energy: -18.575183 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.724 flat angles P-C4'-P energy: -3.740 tors. eta vs tors. theta energy: -1.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -22.927336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.927336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.927336 (E_RNA) where: Base-Base interactions energy: -7.548 where: short stacking energy: -7.548 Base-Backbone interact. energy: -0.000 local terms energy: -15.378825 where: bonds (distance) C4'-P energy: -2.954 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.746 flat angles P-C4'-P energy: -3.816 tors. eta vs tors. theta energy: 0.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -29.414762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.414762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.414762 (E_RNA) where: Base-Base interactions energy: -11.583 where: short stacking energy: -11.583 Base-Backbone interact. energy: -0.000 local terms energy: -17.831987 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.500 flat angles P-C4'-P energy: -1.508 tors. eta vs tors. theta energy: -3.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -25.013021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.013021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.013021 (E_RNA) where: Base-Base interactions energy: -10.587 where: short stacking energy: -10.587 Base-Backbone interact. energy: -0.068 local terms energy: -14.358029 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -1.796 flat angles C4'-P-C4' energy: -3.885 flat angles P-C4'-P energy: -2.336 tors. eta vs tors. theta energy: -2.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -27.722917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.722917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.722917 (E_RNA) where: Base-Base interactions energy: -11.215 where: short stacking energy: -11.215 Base-Backbone interact. energy: -0.000 local terms energy: -16.507658 where: bonds (distance) C4'-P energy: -3.673 bonds (distance) P-C4' energy: -2.864 flat angles C4'-P-C4' energy: -4.203 flat angles P-C4'-P energy: -3.121 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: 6, replica: 3 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -19.709150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.709150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.709150 (E_RNA) where: Base-Base interactions energy: -4.631 where: short stacking energy: -4.631 Base-Backbone interact. energy: -0.072 local terms energy: -15.006360 where: bonds (distance) C4'-P energy: -1.501 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -4.679 flat angles P-C4'-P energy: -2.726 tors. eta vs tors. theta energy: -1.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -19.795780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.795780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.795780 (E_RNA) where: Base-Base interactions energy: -7.447 where: short stacking energy: -7.447 Base-Backbone interact. energy: -0.000 local terms energy: -12.348599 where: bonds (distance) C4'-P energy: -1.410 bonds (distance) P-C4' energy: -3.265 flat angles C4'-P-C4' energy: -4.534 flat angles P-C4'-P energy: -1.373 tors. eta vs tors. theta energy: -1.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -21.664079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.664079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.664079 (E_RNA) where: Base-Base interactions energy: -3.555 where: short stacking energy: -3.555 Base-Backbone interact. energy: -0.000 local terms energy: -18.108593 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -4.559 flat angles P-C4'-P energy: -3.088 tors. eta vs tors. theta energy: -0.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -19.896914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.896914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.896914 (E_RNA) where: Base-Base interactions energy: -3.706 where: short stacking energy: -3.706 Base-Backbone interact. energy: -0.122 local terms energy: -16.068896 where: bonds (distance) C4'-P energy: -3.318 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.118 flat angles P-C4'-P energy: -3.663 tors. eta vs tors. theta energy: 0.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -21.308661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.308661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.308661 (E_RNA) where: Base-Base interactions energy: -5.648 where: short stacking energy: -5.648 Base-Backbone interact. energy: -0.000 local terms energy: -15.660328 where: bonds (distance) C4'-P energy: -1.562 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -1.739 flat angles P-C4'-P energy: -3.807 tors. eta vs tors. theta energy: -3.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -30.346038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.346038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.346038 (E_RNA) where: Base-Base interactions energy: -11.846 where: short stacking energy: -11.846 Base-Backbone interact. energy: -0.000 local terms energy: -18.499725 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.444 flat angles P-C4'-P energy: -3.253 tors. eta vs tors. theta energy: -2.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -27.283198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.283198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.283198 (E_RNA) where: Base-Base interactions energy: -8.958 where: short stacking energy: -8.958 Base-Backbone interact. energy: -0.000 local terms energy: -18.324735 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -4.344 flat angles P-C4'-P energy: -2.669 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: 3, replica: 5 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -26.815628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.815628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.815628 (E_RNA) where: Base-Base interactions energy: -8.260 where: short stacking energy: -8.260 Base-Backbone interact. energy: -0.000 local terms energy: -18.555133 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -3.409 flat angles P-C4'-P energy: -3.740 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: 10 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -23.937571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.937571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.937571 (E_RNA) where: Base-Base interactions energy: -7.195 where: short stacking energy: -7.195 Base-Backbone interact. energy: -0.001 local terms energy: -16.741186 where: bonds (distance) C4'-P energy: -3.152 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.640 flat angles P-C4'-P energy: -3.598 tors. eta vs tors. theta energy: -0.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -21.742435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.742435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.742435 (E_RNA) where: Base-Base interactions energy: -3.644 where: short stacking energy: -3.644 Base-Backbone interact. energy: -0.000 local terms energy: -18.098878 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.286 flat angles P-C4'-P energy: -3.215 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: 6, replica: 6 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -22.038108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.038108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.038108 (E_RNA) where: Base-Base interactions energy: -3.202 where: short stacking energy: -3.202 Base-Backbone interact. energy: -0.000 local terms energy: -18.835469 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -3.814 flat angles P-C4'-P energy: -3.241 tors. eta vs tors. theta energy: -3.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -23.542915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.542915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.542915 (E_RNA) where: Base-Base interactions energy: -7.031 where: short stacking energy: -7.031 Base-Backbone interact. energy: -0.000 local terms energy: -16.511609 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -2.250 flat angles P-C4'-P energy: -3.778 tors. eta vs tors. theta energy: -0.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -19.866974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.866974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.866974 (E_RNA) where: Base-Base interactions energy: -5.941 where: short stacking energy: -5.941 Base-Backbone interact. energy: -0.057 local terms energy: -13.869604 where: bonds (distance) C4'-P energy: -0.739 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.448 flat angles P-C4'-P energy: -3.319 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: 9, replica: 1 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -26.696812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.696812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.696812 (E_RNA) where: Base-Base interactions energy: -9.455 where: short stacking energy: -9.455 Base-Backbone interact. energy: -0.014 local terms energy: -17.228141 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.907 flat angles P-C4'-P energy: -1.715 tors. eta vs tors. theta energy: -2.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -22.047578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.047578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.047578 (E_RNA) where: Base-Base interactions energy: -7.126 where: short stacking energy: -7.126 Base-Backbone interact. energy: -0.004 local terms energy: -14.917789 where: bonds (distance) C4'-P energy: -2.307 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.976 flat angles P-C4'-P energy: -2.707 tors. eta vs tors. theta energy: -1.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -25.011129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.011129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.011129 (E_RNA) where: Base-Base interactions energy: -6.605 where: short stacking energy: -6.605 Base-Backbone interact. energy: -0.000 local terms energy: -18.406407 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.044 flat angles C4'-P-C4' energy: -4.013 flat angles P-C4'-P energy: -3.001 tors. eta vs tors. theta energy: -3.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -29.712531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.712531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.712531 (E_RNA) where: Base-Base interactions energy: -11.660 where: short stacking energy: -11.660 Base-Backbone interact. energy: -0.008 local terms energy: -18.045177 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -3.798 flat angles P-C4'-P energy: -3.825 tors. eta vs tors. theta energy: -1.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -25.515512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.515512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.515512 (E_RNA) where: Base-Base interactions energy: -10.979 where: short stacking energy: -10.979 Base-Backbone interact. energy: -0.000 local terms energy: -14.536566 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.786 flat angles C4'-P-C4' energy: -3.060 flat angles P-C4'-P energy: -2.135 tors. eta vs tors. theta energy: -1.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -23.129622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.129622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.129622 (E_RNA) where: Base-Base interactions energy: -6.880 where: short stacking energy: -6.880 Base-Backbone interact. energy: -0.000 local terms energy: -16.249141 where: bonds (distance) C4'-P energy: -4.270 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.693 flat angles P-C4'-P energy: -1.942 tors. eta vs tors. theta energy: -1.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -24.594749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.594749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.594749 (E_RNA) where: Base-Base interactions energy: -8.119 where: short stacking energy: -8.119 Base-Backbone interact. energy: -0.004 local terms energy: -16.471466 where: bonds (distance) C4'-P energy: -3.008 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.647 flat angles P-C4'-P energy: -1.750 tors. eta vs tors. theta energy: -1.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -24.916490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.916490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.916490 (E_RNA) where: Base-Base interactions energy: -7.256 where: short stacking energy: -7.256 Base-Backbone interact. energy: -0.000 local terms energy: -17.660814 where: bonds (distance) C4'-P energy: -4.171 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.487 flat angles P-C4'-P energy: -1.998 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: 7, replica: 6 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -20.953070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.953070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.953070 (E_RNA) where: Base-Base interactions energy: -3.326 where: short stacking energy: -3.326 Base-Backbone interact. energy: -0.000 local terms energy: -17.626818 where: bonds (distance) C4'-P energy: -3.301 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.354 flat angles P-C4'-P energy: -2.352 tors. eta vs tors. theta energy: -2.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -20.494807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.494807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.494807 (E_RNA) where: Base-Base interactions energy: -3.622 where: short stacking energy: -3.622 Base-Backbone interact. energy: -0.061 local terms energy: -16.811965 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.235 flat angles P-C4'-P energy: -2.205 tors. eta vs tors. theta energy: -0.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -21.638640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.638640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.638640 (E_RNA) where: Base-Base interactions energy: -4.792 where: short stacking energy: -4.792 Base-Backbone interact. energy: -0.000 local terms energy: -16.846943 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -3.811 flat angles C4'-P-C4' energy: -4.286 flat angles P-C4'-P energy: -2.205 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: 10, replica: 2 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -21.105205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.105205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.105205 (E_RNA) where: Base-Base interactions energy: -8.776 where: short stacking energy: -8.776 Base-Backbone interact. energy: -0.000 local terms energy: -12.328936 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -2.358 flat angles C4'-P-C4' energy: -2.187 flat angles P-C4'-P energy: -2.792 tors. eta vs tors. theta energy: -0.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -24.206108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.206108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.206108 (E_RNA) where: Base-Base interactions energy: -2.945 where: short stacking energy: -2.945 Base-Backbone interact. energy: -0.177 local terms energy: -21.084479 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.751 flat angles P-C4'-P energy: -3.692 tors. eta vs tors. theta energy: -3.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -29.048566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.048566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.048566 (E_RNA) where: Base-Base interactions energy: -10.619 where: short stacking energy: -10.619 Base-Backbone interact. energy: -0.000 local terms energy: -18.429131 where: bonds (distance) C4'-P energy: -4.341 bonds (distance) P-C4' energy: -4.184 flat angles C4'-P-C4' energy: -4.030 flat angles P-C4'-P energy: -2.931 tors. eta vs tors. theta energy: -2.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -27.129859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.129859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.129859 (E_RNA) where: Base-Base interactions energy: -11.240 where: short stacking energy: -11.240 Base-Backbone interact. energy: -0.000 local terms energy: -15.889534 where: bonds (distance) C4'-P energy: -3.301 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.325 flat angles P-C4'-P energy: -0.695 tors. eta vs tors. theta energy: -2.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -27.182417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.182417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.182417 (E_RNA) where: Base-Base interactions energy: -10.520 where: short stacking energy: -10.520 Base-Backbone interact. energy: -0.000 local terms energy: -16.662296 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.618 flat angles P-C4'-P energy: -2.354 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: 5, replica: 4 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -24.616728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.616728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.616728 (E_RNA) where: Base-Base interactions energy: -6.531 where: short stacking energy: -6.531 Base-Backbone interact. energy: -0.000 local terms energy: -18.085267 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -4.839 flat angles C4'-P-C4' energy: -3.387 flat angles P-C4'-P energy: -1.423 tors. eta vs tors. theta energy: -3.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -21.353443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.353443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.353443 (E_RNA) where: Base-Base interactions energy: -3.879 where: short stacking energy: -3.879 Base-Backbone interact. energy: -0.035 local terms energy: -17.439647 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.728 flat angles P-C4'-P energy: -2.787 tors. eta vs tors. theta energy: -1.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -27.461414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.461414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.461414 (E_RNA) where: Base-Base interactions energy: -8.428 where: short stacking energy: -8.428 Base-Backbone interact. energy: -0.000 local terms energy: -19.033092 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.500 flat angles P-C4'-P energy: -2.510 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: 8, replica: 6 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -23.832822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.832822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.832822 (E_RNA) where: Base-Base interactions energy: -6.345 where: short stacking energy: -4.051 Base-Backbone interact. energy: -0.200 local terms energy: -17.287977 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.813 flat angles P-C4'-P energy: -3.040 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: 9, replica: 2 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -21.470316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.470316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.470316 (E_RNA) where: Base-Base interactions energy: -3.969 where: short stacking energy: -3.969 Base-Backbone interact. energy: -0.000 local terms energy: -17.501628 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.813 flat angles P-C4'-P energy: -2.679 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: 10, replica: 7 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -18.544857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.544857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.544857 (E_RNA) where: Base-Base interactions energy: -3.805 where: short stacking energy: -3.805 Base-Backbone interact. energy: -0.100 local terms energy: -14.639678 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -2.867 flat angles C4'-P-C4' energy: -3.864 flat angles P-C4'-P energy: -2.366 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: 9 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -31.792820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.792820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.792820 (E_RNA) where: Base-Base interactions energy: -10.389 where: short stacking energy: -10.389 Base-Backbone interact. energy: -0.000 local terms energy: -21.404129 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -4.604 flat angles P-C4'-P energy: -3.816 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: 2, replica: 3 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -24.858273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.858273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.858273 (E_RNA) where: Base-Base interactions energy: -7.698 where: short stacking energy: -7.698 Base-Backbone interact. energy: -0.004 local terms energy: -17.156343 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.710 flat angles P-C4'-P energy: -3.418 tors. eta vs tors. theta energy: -0.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -22.918700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.918700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.918700 (E_RNA) where: Base-Base interactions energy: -6.282 where: short stacking energy: -6.282 Base-Backbone interact. energy: -0.034 local terms energy: -16.602046 where: bonds (distance) C4'-P energy: -3.194 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.146 flat angles P-C4'-P energy: -3.441 tors. eta vs tors. theta energy: -0.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -31.129350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.129350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.129350 (E_RNA) where: Base-Base interactions energy: -10.410 where: short stacking energy: -10.410 Base-Backbone interact. energy: -0.000 local terms energy: -20.719317 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.006 flat angles P-C4'-P energy: -2.945 tors. eta vs tors. theta energy: -4.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -30.286083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.286083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.286083 (E_RNA) where: Base-Base interactions energy: -11.186 where: short stacking energy: -11.186 Base-Backbone interact. energy: -0.000 local terms energy: -19.099691 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.180 flat angles C4'-P-C4' energy: -4.093 flat angles P-C4'-P energy: -3.135 tors. eta vs tors. theta energy: -3.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -20.945688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.945688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.945688 (E_RNA) where: Base-Base interactions energy: -4.394 where: short stacking energy: -4.394 Base-Backbone interact. energy: -0.030 local terms energy: -16.521726 where: bonds (distance) C4'-P energy: -2.378 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.472 flat angles P-C4'-P energy: -2.807 tors. eta vs tors. theta energy: -2.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -21.457293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.457293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.457293 (E_RNA) where: Base-Base interactions energy: -4.102 where: short stacking energy: -4.102 Base-Backbone interact. energy: -0.012 local terms energy: -17.342900 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -4.314 flat angles C4'-P-C4' energy: -4.500 flat angles P-C4'-P energy: -3.338 tors. eta vs tors. theta energy: -0.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -22.003011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.003011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.003011 (E_RNA) where: Base-Base interactions energy: -7.483 where: short stacking energy: -7.483 Base-Backbone interact. energy: -0.003 local terms energy: -14.517294 where: bonds (distance) C4'-P energy: -2.743 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -2.529 flat angles P-C4'-P energy: -2.372 tors. eta vs tors. theta energy: -1.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -24.127415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.127415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.127415 (E_RNA) where: Base-Base interactions energy: -7.853 where: short stacking energy: -7.853 Base-Backbone interact. energy: -0.000 local terms energy: -16.274827 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -3.064 flat angles C4'-P-C4' energy: -4.239 flat angles P-C4'-P energy: -1.227 tors. eta vs tors. theta energy: -3.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -21.749858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.749858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.749858 (E_RNA) where: Base-Base interactions energy: -2.681 where: short stacking energy: -2.681 Base-Backbone interact. energy: -0.000 local terms energy: -19.068393 where: bonds (distance) C4'-P energy: -3.053 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.194 flat angles P-C4'-P energy: -3.112 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: 1, replica: 3 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -31.245093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.245093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.245093 (E_RNA) where: Base-Base interactions energy: -10.572 where: short stacking energy: -10.572 Base-Backbone interact. energy: -0.000 local terms energy: -20.673238 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.013 flat angles P-C4'-P energy: -2.654 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: 2, replica: 9 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -30.833319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.833319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.833319 (E_RNA) where: Base-Base interactions energy: -9.850 where: short stacking energy: -9.850 Base-Backbone interact. energy: -0.000 local terms energy: -20.983409 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.220 flat angles P-C4'-P energy: -3.340 tors. eta vs tors. theta energy: -4.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -29.270997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.270997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.270997 (E_RNA) where: Base-Base interactions energy: -11.260 where: short stacking energy: -11.260 Base-Backbone interact. energy: -0.000 local terms energy: -18.011256 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.294 flat angles P-C4'-P energy: -2.152 tors. eta vs tors. theta energy: -4.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -25.855939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.855939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.855939 (E_RNA) where: Base-Base interactions energy: -6.068 where: short stacking energy: -6.068 Base-Backbone interact. energy: -0.000 local terms energy: -19.788106 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.848 flat angles P-C4'-P energy: -2.957 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: 5, replica: 1 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -28.864618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.864618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.864618 (E_RNA) where: Base-Base interactions energy: -10.595 where: short stacking energy: -10.595 Base-Backbone interact. energy: -0.000 local terms energy: -18.269640 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.049 flat angles P-C4'-P energy: -2.403 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: 8 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -24.887299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.887299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.887299 (E_RNA) where: Base-Base interactions energy: -8.180 where: short stacking energy: -8.180 Base-Backbone interact. energy: -0.000 local terms energy: -16.707748 where: bonds (distance) C4'-P energy: -2.556 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.510 flat angles P-C4'-P energy: -3.447 tors. eta vs tors. theta energy: -0.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -21.847471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.847471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.847471 (E_RNA) where: Base-Base interactions energy: -6.602 where: short stacking energy: -6.602 Base-Backbone interact. energy: -0.000 local terms energy: -15.245734 where: bonds (distance) C4'-P energy: -2.751 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -2.397 flat angles P-C4'-P energy: -3.645 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: 10 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -23.540191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.540191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.540191 (E_RNA) where: Base-Base interactions energy: -7.232 where: short stacking energy: -7.232 Base-Backbone interact. energy: -0.000 local terms energy: -16.308196 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -3.585 flat angles C4'-P-C4' energy: -4.667 flat angles P-C4'-P energy: -1.666 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: 404 Temperature: 1.300000 Total energy: -21.394988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.394988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.394988 (E_RNA) where: Base-Base interactions energy: -4.316 where: short stacking energy: -4.316 Base-Backbone interact. energy: -0.000 local terms energy: -17.079225 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.675 flat angles P-C4'-P energy: -2.711 tors. eta vs tors. theta energy: -1.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -21.121978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.121978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.121978 (E_RNA) where: Base-Base interactions energy: -5.639 where: short stacking energy: -5.639 Base-Backbone interact. energy: -0.001 local terms energy: -15.482443 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -1.815 flat angles P-C4'-P energy: -3.460 tors. eta vs tors. theta energy: -0.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -26.337293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.337293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.337293 (E_RNA) where: Base-Base interactions energy: -8.365 where: short stacking energy: -8.365 Base-Backbone interact. energy: -0.000 local terms energy: -17.971967 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -4.648 flat angles P-C4'-P energy: -3.035 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: 2, replica: 4 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -25.362479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.362479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.362479 (E_RNA) where: Base-Base interactions energy: -7.968 where: short stacking energy: -7.968 Base-Backbone interact. energy: -0.000 local terms energy: -17.394143 where: bonds (distance) C4'-P energy: -3.309 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.467 flat angles P-C4'-P energy: -2.630 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: 3, replica: 9 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -27.930165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.930165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.930165 (E_RNA) where: Base-Base interactions energy: -10.569 where: short stacking energy: -10.569 Base-Backbone interact. energy: -0.000 local terms energy: -17.360653 where: bonds (distance) C4'-P energy: -4.233 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.023 flat angles P-C4'-P energy: -2.796 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: 4, replica: 1 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -25.021745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.021745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.021745 (E_RNA) where: Base-Base interactions energy: -6.683 where: short stacking energy: -6.683 Base-Backbone interact. energy: -0.000 local terms energy: -18.338844 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.286 flat angles P-C4'-P energy: -2.697 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: 5 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -27.040731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.040731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.040731 (E_RNA) where: Base-Base interactions energy: -6.850 where: short stacking energy: -6.850 Base-Backbone interact. energy: -0.000 local terms energy: -20.190577 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.964 flat angles P-C4'-P energy: -3.892 tors. eta vs tors. theta energy: -2.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -26.178911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.178911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.178911 (E_RNA) where: Base-Base interactions energy: -9.886 where: short stacking energy: -9.886 Base-Backbone interact. energy: -0.000 local terms energy: -16.292573 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -3.256 flat angles P-C4'-P energy: -0.905 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: 7, replica: 8 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -26.146676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.146676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.146676 (E_RNA) where: Base-Base interactions energy: -8.351 where: short stacking energy: -8.351 Base-Backbone interact. energy: -0.012 local terms energy: -17.783873 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.548 flat angles P-C4'-P energy: -2.937 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: 8, replica: 7 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -21.807677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.807677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.807677 (E_RNA) where: Base-Base interactions energy: -6.514 where: short stacking energy: -6.514 Base-Backbone interact. energy: -0.205 local terms energy: -15.089041 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -2.846 flat angles P-C4'-P energy: -2.688 tors. eta vs tors. theta energy: -0.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -22.488427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.488427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.488427 (E_RNA) where: Base-Base interactions energy: -4.251 where: short stacking energy: -4.251 Base-Backbone interact. energy: -0.000 local terms energy: -18.237179 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -3.889 flat angles C4'-P-C4' energy: -4.905 flat angles P-C4'-P energy: -2.706 tors. eta vs tors. theta energy: -2.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -20.269776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.269776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.269776 (E_RNA) where: Base-Base interactions energy: -3.701 where: short stacking energy: -3.701 Base-Backbone interact. energy: -0.308 local terms energy: -16.260653 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.339 flat angles C4'-P-C4' energy: -3.708 flat angles P-C4'-P energy: -3.232 tors. eta vs tors. theta energy: -0.989 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: 406 Temperature: 0.900000 Total energy: -30.848429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.848429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.848429 (E_RNA) where: Base-Base interactions energy: -11.900 where: short stacking energy: -11.900 Base-Backbone interact. energy: -0.012 local terms energy: -18.936790 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -3.532 flat angles C4'-P-C4' energy: -4.924 flat angles P-C4'-P energy: -3.155 tors. eta vs tors. theta energy: -2.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -28.303983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.303983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.303983 (E_RNA) where: Base-Base interactions energy: -10.839 where: short stacking energy: -10.839 Base-Backbone interact. energy: -0.002 local terms energy: -17.463720 where: bonds (distance) C4'-P energy: -4.063 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -2.741 flat angles P-C4'-P energy: -1.800 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: 3, replica: 1 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -27.445948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.445948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.445948 (E_RNA) where: Base-Base interactions energy: -8.539 where: short stacking energy: -8.539 Base-Backbone interact. energy: -0.001 local terms energy: -18.906119 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.502 flat angles P-C4'-P energy: -1.729 tors. eta vs tors. theta energy: -4.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -25.875544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.875544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.875544 (E_RNA) where: Base-Base interactions energy: -10.792 where: short stacking energy: -10.792 Base-Backbone interact. energy: -0.000 local terms energy: -15.083631 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -3.301 flat angles C4'-P-C4' energy: -4.176 flat angles P-C4'-P energy: -2.270 tors. eta vs tors. theta energy: -2.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -24.750638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.750638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.750638 (E_RNA) where: Base-Base interactions energy: -8.326 where: short stacking energy: -8.326 Base-Backbone interact. energy: -0.000 local terms energy: -16.424567 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -3.154 flat angles P-C4'-P energy: -3.177 tors. eta vs tors. theta energy: -1.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -22.880223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.880223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.880223 (E_RNA) where: Base-Base interactions energy: -4.206 where: short stacking energy: -4.206 Base-Backbone interact. energy: -0.000 local terms energy: -18.674269 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -3.818 flat angles C4'-P-C4' energy: -4.101 flat angles P-C4'-P energy: -3.109 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: 7, replica: 7 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -23.322936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.322936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.322936 (E_RNA) where: Base-Base interactions energy: -8.461 where: short stacking energy: -8.461 Base-Backbone interact. energy: -0.002 local terms energy: -14.859427 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.324 flat angles C4'-P-C4' energy: -4.398 flat angles P-C4'-P energy: -1.324 tors. eta vs tors. theta energy: -1.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -20.373365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.373365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.373365 (E_RNA) where: Base-Base interactions energy: -4.490 where: short stacking energy: -4.490 Base-Backbone interact. energy: -0.006 local terms energy: -15.877397 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -2.951 flat angles P-C4'-P energy: -3.107 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: 6 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -23.496722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.496722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.496722 (E_RNA) where: Base-Base interactions energy: -9.164 where: short stacking energy: -9.164 Base-Backbone interact. energy: -0.001 local terms energy: -14.332080 where: bonds (distance) C4'-P energy: -2.954 bonds (distance) P-C4' energy: -3.336 flat angles C4'-P-C4' energy: -2.291 flat angles P-C4'-P energy: -3.524 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: 10, replica: 10 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -20.611367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.611367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.611367 (E_RNA) where: Base-Base interactions energy: -4.586 where: short stacking energy: -4.586 Base-Backbone interact. energy: -0.000 local terms energy: -16.025424 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -4.205 flat angles C4'-P-C4' energy: -4.577 flat angles P-C4'-P energy: -1.619 tors. eta vs tors. theta energy: -1.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -30.525334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.525334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.525334 (E_RNA) where: Base-Base interactions energy: -11.493 where: short stacking energy: -11.493 Base-Backbone interact. energy: -0.000 local terms energy: -19.032585 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.743 flat angles P-C4'-P energy: -2.402 tors. eta vs tors. theta energy: -3.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -22.682073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.682073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.682073 (E_RNA) where: Base-Base interactions energy: -7.125 where: short stacking energy: -7.125 Base-Backbone interact. energy: -0.058 local terms energy: -15.498154 where: bonds (distance) C4'-P energy: -3.264 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.746 flat angles P-C4'-P energy: -2.387 tors. eta vs tors. theta energy: -0.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -25.421844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.421844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.421844 (E_RNA) where: Base-Base interactions energy: -8.225 where: short stacking energy: -8.225 Base-Backbone interact. energy: -0.000 local terms energy: -17.197066 where: bonds (distance) C4'-P energy: -3.277 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.521 flat angles P-C4'-P energy: -3.035 tors. eta vs tors. theta energy: -1.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -28.310621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.310621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.310621 (E_RNA) where: Base-Base interactions energy: -11.233 where: short stacking energy: -11.233 Base-Backbone interact. energy: -0.000 local terms energy: -17.077209 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -3.815 flat angles C4'-P-C4' energy: -3.209 flat angles P-C4'-P energy: -3.522 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: 5, replica: 9 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -22.744326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.744326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.744326 (E_RNA) where: Base-Base interactions energy: -7.852 where: short stacking energy: -7.852 Base-Backbone interact. energy: -0.000 local terms energy: -14.892270 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -3.515 flat angles C4'-P-C4' energy: -3.332 flat angles P-C4'-P energy: -2.833 tors. eta vs tors. theta energy: -1.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -26.105855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.105855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.105855 (E_RNA) where: Base-Base interactions energy: -8.255 where: short stacking energy: -8.255 Base-Backbone interact. energy: -0.100 local terms energy: -17.750941 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -4.235 flat angles P-C4'-P energy: -2.329 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: 5 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -25.240826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.240826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.240826 (E_RNA) where: Base-Base interactions energy: -7.285 where: short stacking energy: -7.285 Base-Backbone interact. energy: -0.000 local terms energy: -17.956129 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -2.489 flat angles C4'-P-C4' energy: -4.894 flat angles P-C4'-P energy: -3.086 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: 407 Temperature: 1.250000 Total energy: -22.966371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.966371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.966371 (E_RNA) where: Base-Base interactions energy: -7.114 where: short stacking energy: -7.114 Base-Backbone interact. energy: -0.087 local terms energy: -15.765755 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -4.339 flat angles C4'-P-C4' energy: -2.803 flat angles P-C4'-P energy: -3.363 tors. eta vs tors. theta energy: -1.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -23.323623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.323623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.323623 (E_RNA) where: Base-Base interactions energy: -7.424 where: short stacking energy: -7.424 Base-Backbone interact. energy: -0.000 local terms energy: -15.899192 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.459 flat angles P-C4'-P energy: -2.949 tors. eta vs tors. theta energy: -0.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -20.904592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.904592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.904592 (E_RNA) where: Base-Base interactions energy: -7.688 where: short stacking energy: -7.688 Base-Backbone interact. energy: -0.000 local terms energy: -13.217000 where: bonds (distance) C4'-P energy: -3.169 bonds (distance) P-C4' energy: -2.845 flat angles C4'-P-C4' energy: -3.519 flat angles P-C4'-P energy: -2.540 tors. eta vs tors. theta energy: -1.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -27.437012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.437012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.437012 (E_RNA) where: Base-Base interactions energy: -7.840 where: short stacking energy: -7.840 Base-Backbone interact. energy: -0.099 local terms energy: -19.497679 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.397 flat angles P-C4'-P energy: -3.184 tors. eta vs tors. theta energy: -3.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -25.273020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.273020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.273020 (E_RNA) where: Base-Base interactions energy: -7.651 where: short stacking energy: -7.651 Base-Backbone interact. energy: -0.000 local terms energy: -17.622203 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.339 flat angles P-C4'-P energy: -2.535 tors. eta vs tors. theta energy: -1.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -25.858911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.858911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.858911 (E_RNA) where: Base-Base interactions energy: -8.682 where: short stacking energy: -8.682 Base-Backbone interact. energy: -0.001 local terms energy: -17.175792 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.570 flat angles P-C4'-P energy: -4.021 tors. eta vs tors. theta energy: -0.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -28.289760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.289760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.289760 (E_RNA) where: Base-Base interactions energy: -10.423 where: short stacking energy: -10.423 Base-Backbone interact. energy: -0.000 local terms energy: -17.866969 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -2.094 flat angles P-C4'-P energy: -2.498 tors. eta vs tors. theta energy: -3.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -27.423379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.423379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.423379 (E_RNA) where: Base-Base interactions energy: -9.711 where: short stacking energy: -9.711 Base-Backbone interact. energy: -0.000 local terms energy: -17.712087 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.867 flat angles C4'-P-C4' energy: -3.007 flat angles P-C4'-P energy: -2.072 tors. eta vs tors. theta energy: -3.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -24.886102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.886102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.886102 (E_RNA) where: Base-Base interactions energy: -7.447 where: short stacking energy: -7.447 Base-Backbone interact. energy: -0.015 local terms energy: -17.424984 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.110 flat angles C4'-P-C4' energy: -3.697 flat angles P-C4'-P energy: -3.473 tors. eta vs tors. theta energy: -1.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -21.347075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.347075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.347075 (E_RNA) where: Base-Base interactions energy: -6.431 where: short stacking energy: -6.431 Base-Backbone interact. energy: -0.017 local terms energy: -14.898747 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.029 flat angles P-C4'-P energy: -2.106 tors. eta vs tors. theta energy: 0.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -25.390349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.390349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.390349 (E_RNA) where: Base-Base interactions energy: -12.147 where: short stacking energy: -12.147 Base-Backbone interact. energy: -0.026 local terms energy: -13.216796 where: bonds (distance) C4'-P energy: -3.683 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -3.638 flat angles P-C4'-P energy: -0.880 tors. eta vs tors. theta energy: -0.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -20.856907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.856907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.856907 (E_RNA) where: Base-Base interactions energy: -5.022 where: short stacking energy: -5.022 Base-Backbone interact. energy: -0.032 local terms energy: -15.802077 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.292 flat angles P-C4'-P energy: -3.211 tors. eta vs tors. theta energy: 0.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -23.324721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.324721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.324721 (E_RNA) where: Base-Base interactions energy: -6.646 where: short stacking energy: -6.646 Base-Backbone interact. energy: -0.064 local terms energy: -16.615232 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.793 flat angles C4'-P-C4' energy: -4.629 flat angles P-C4'-P energy: -2.144 tors. eta vs tors. theta energy: -1.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -28.007825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.007825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.007825 (E_RNA) where: Base-Base interactions energy: -7.482 where: short stacking energy: -7.482 Base-Backbone interact. energy: -0.000 local terms energy: -20.525985 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.618 flat angles P-C4'-P energy: -3.920 tors. eta vs tors. theta energy: -4.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -28.410633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.410633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.410633 (E_RNA) where: Base-Base interactions energy: -10.678 where: short stacking energy: -10.678 Base-Backbone interact. energy: -0.012 local terms energy: -17.721105 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -3.518 flat angles C4'-P-C4' energy: -4.698 flat angles P-C4'-P energy: -2.769 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: 3, replica: 4 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -26.368457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.368457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.368457 (E_RNA) where: Base-Base interactions energy: -8.820 where: short stacking energy: -8.820 Base-Backbone interact. energy: -0.000 local terms energy: -17.548671 where: bonds (distance) C4'-P energy: -2.494 bonds (distance) P-C4' energy: -3.796 flat angles C4'-P-C4' energy: -3.353 flat angles P-C4'-P energy: -3.873 tors. eta vs tors. theta energy: -4.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -30.852630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.852630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.852630 (E_RNA) where: Base-Base interactions energy: -11.409 where: short stacking energy: -11.409 Base-Backbone interact. energy: -0.001 local terms energy: -19.442731 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.365 flat angles P-C4'-P energy: -2.854 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: 5, replica: 1 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -26.627823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.627823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.627823 (E_RNA) where: Base-Base interactions energy: -8.470 where: short stacking energy: -8.470 Base-Backbone interact. energy: -0.006 local terms energy: -18.151536 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.206 flat angles P-C4'-P energy: -2.051 tors. eta vs tors. theta energy: -3.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -22.599211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.599211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.599211 (E_RNA) where: Base-Base interactions energy: -4.497 where: short stacking energy: -4.497 Base-Backbone interact. energy: -0.000 local terms energy: -18.102572 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.584 flat angles P-C4'-P energy: -3.616 tors. eta vs tors. theta energy: -1.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -24.981410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.981410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.981410 (E_RNA) where: Base-Base interactions energy: -9.359 where: short stacking energy: -9.359 Base-Backbone interact. energy: -0.000 local terms energy: -15.622393 where: bonds (distance) C4'-P energy: -3.152 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.731 flat angles P-C4'-P energy: -0.726 tors. eta vs tors. theta energy: -2.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -22.212112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.212112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.212112 (E_RNA) where: Base-Base interactions energy: -6.558 where: short stacking energy: -6.558 Base-Backbone interact. energy: -0.001 local terms energy: -15.652588 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.521 flat angles P-C4'-P energy: -2.611 tors. eta vs tors. theta energy: -0.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -27.011681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.011681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.011681 (E_RNA) where: Base-Base interactions energy: -9.672 where: short stacking energy: -9.672 Base-Backbone interact. energy: -0.000 local terms energy: -17.339707 where: bonds (distance) C4'-P energy: -1.417 bonds (distance) P-C4' energy: -3.755 flat angles C4'-P-C4' energy: -3.736 flat angles P-C4'-P energy: -3.727 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: 10, replica: 8 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -21.476805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.476805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.476805 (E_RNA) where: Base-Base interactions energy: -4.272 where: short stacking energy: -4.272 Base-Backbone interact. energy: -0.000 local terms energy: -17.204356 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.497 flat angles P-C4'-P energy: -3.533 tors. eta vs tors. theta energy: -0.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -27.174917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.174917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.174917 (E_RNA) where: Base-Base interactions energy: -8.233 where: short stacking energy: -8.233 Base-Backbone interact. energy: -0.000 local terms energy: -18.941414 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -3.349 flat angles C4'-P-C4' energy: -4.805 flat angles P-C4'-P energy: -3.244 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: 3 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -23.856650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.856650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.856650 (E_RNA) where: Base-Base interactions energy: -7.672 where: short stacking energy: -7.672 Base-Backbone interact. energy: -0.004 local terms energy: -16.180471 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -3.395 flat angles P-C4'-P energy: -2.759 tors. eta vs tors. theta energy: -1.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -31.080940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.080940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.080940 (E_RNA) where: Base-Base interactions energy: -10.881 where: short stacking energy: -10.881 Base-Backbone interact. energy: -0.000 local terms energy: -20.200387 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.369 flat angles P-C4'-P energy: -2.427 tors. eta vs tors. theta energy: -4.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -24.230711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.230711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.230711 (E_RNA) where: Base-Base interactions energy: -7.538 where: short stacking energy: -7.538 Base-Backbone interact. energy: -0.001 local terms energy: -16.691090 where: bonds (distance) C4'-P energy: -3.406 bonds (distance) P-C4' energy: -4.413 flat angles C4'-P-C4' energy: -4.269 flat angles P-C4'-P energy: -3.256 tors. eta vs tors. theta energy: -1.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -23.399579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.399579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.399579 (E_RNA) where: Base-Base interactions energy: -7.005 where: short stacking energy: -7.005 Base-Backbone interact. energy: -0.067 local terms energy: -16.328330 where: bonds (distance) C4'-P energy: -3.309 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.762 flat angles P-C4'-P energy: -2.986 tors. eta vs tors. theta energy: -1.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -27.107341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.107341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.107341 (E_RNA) where: Base-Base interactions energy: -8.844 where: short stacking energy: -8.844 Base-Backbone interact. energy: -0.000 local terms energy: -18.263142 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -3.653 flat angles P-C4'-P energy: -3.260 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: 7, replica: 10 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -23.950383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.950383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.950383 (E_RNA) where: Base-Base interactions energy: -6.167 where: short stacking energy: -6.167 Base-Backbone interact. energy: -0.005 local terms energy: -17.777878 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.116 flat angles P-C4'-P energy: -2.810 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: 9 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -21.302817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.302817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.302817 (E_RNA) where: Base-Base interactions energy: -6.220 where: short stacking energy: -6.220 Base-Backbone interact. energy: -0.000 local terms energy: -15.082871 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -3.149 flat angles C4'-P-C4' energy: -4.674 flat angles P-C4'-P energy: -3.702 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: 8 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -22.785141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.785141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.785141 (E_RNA) where: Base-Base interactions energy: -7.415 where: short stacking energy: -7.415 Base-Backbone interact. energy: -0.000 local terms energy: -15.369801 where: bonds (distance) C4'-P energy: -2.804 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.237 flat angles P-C4'-P energy: -3.185 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: 10, replica: 5 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -23.082262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.082262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.082262 (E_RNA) where: Base-Base interactions energy: -5.770 where: short stacking energy: -5.770 Base-Backbone interact. energy: -0.142 local terms energy: -17.170013 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.885 flat angles P-C4'-P energy: -2.688 tors. eta vs tors. theta energy: -1.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -28.345617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.345617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.345617 (E_RNA) where: Base-Base interactions energy: -7.957 where: short stacking energy: -7.957 Base-Backbone interact. energy: -0.000 local terms energy: -20.388759 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -2.651 flat angles P-C4'-P energy: -3.545 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: 2, replica: 7 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -26.693427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.693427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.693427 (E_RNA) where: Base-Base interactions energy: -7.861 where: short stacking energy: -7.861 Base-Backbone interact. energy: -0.001 local terms energy: -18.831506 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.187 flat angles P-C4'-P energy: -2.473 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: 3, replica: 3 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -29.160826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.160826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.160826 (E_RNA) where: Base-Base interactions energy: -9.974 where: short stacking energy: -9.974 Base-Backbone interact. energy: -0.000 local terms energy: -19.186559 where: bonds (distance) C4'-P energy: -2.892 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.383 flat angles P-C4'-P energy: -3.674 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: 4, replica: 6 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -27.403464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.403464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.403464 (E_RNA) where: Base-Base interactions energy: -11.359 where: short stacking energy: -11.526 Base-Backbone interact. energy: -0.000 local terms energy: -16.044313 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -3.969 flat angles C4'-P-C4' energy: -2.904 flat angles P-C4'-P energy: -3.272 tors. eta vs tors. theta energy: -1.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -23.407730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.407730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.407730 (E_RNA) where: Base-Base interactions energy: -10.279 where: short stacking energy: -10.279 Base-Backbone interact. energy: -0.018 local terms energy: -13.110527 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -0.334 flat angles P-C4'-P energy: -1.789 tors. eta vs tors. theta energy: -2.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -22.844143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.844143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.844143 (E_RNA) where: Base-Base interactions energy: -4.487 where: short stacking energy: -4.487 Base-Backbone interact. energy: -0.000 local terms energy: -18.356982 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.859 flat angles P-C4'-P energy: -1.478 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: 7, replica: 10 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -32.455434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.455434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.455434 (E_RNA) where: Base-Base interactions energy: -11.586 where: short stacking energy: -11.586 Base-Backbone interact. energy: -0.000 local terms energy: -20.869390 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.746 flat angles P-C4'-P energy: -2.335 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: 8, replica: 8 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -21.110832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.110832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.110832 (E_RNA) where: Base-Base interactions energy: -6.569 where: short stacking energy: -6.569 Base-Backbone interact. energy: -0.007 local terms energy: -14.534070 where: bonds (distance) C4'-P energy: -2.900 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.079 flat angles P-C4'-P energy: -1.453 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: 9 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -21.930669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.930669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.930669 (E_RNA) where: Base-Base interactions energy: -3.865 where: short stacking energy: -3.865 Base-Backbone interact. energy: 0.302 local terms energy: -18.367595 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.853 flat angles P-C4'-P energy: -3.204 tors. eta vs tors. theta energy: -2.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -23.148813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.148813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.148813 (E_RNA) where: Base-Base interactions energy: -9.195 where: short stacking energy: -9.195 Base-Backbone interact. energy: -0.000 local terms energy: -13.953303 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -2.898 flat angles P-C4'-P energy: -1.082 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: 412 Temperature: 0.900000 Total energy: -28.763186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.763186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.763186 (E_RNA) where: Base-Base interactions energy: -9.953 where: short stacking energy: -9.953 Base-Backbone interact. energy: -0.000 local terms energy: -18.809812 where: bonds (distance) C4'-P energy: -3.889 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.816 flat angles P-C4'-P energy: -2.532 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: 2, replica: 2 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -27.289813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.289813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.289813 (E_RNA) where: Base-Base interactions energy: -7.047 where: short stacking energy: -7.047 Base-Backbone interact. energy: -0.000 local terms energy: -20.242790 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.349 flat angles P-C4'-P energy: -2.582 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: 3, replica: 6 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -27.411955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.411955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.411955 (E_RNA) where: Base-Base interactions energy: -10.053 where: short stacking energy: -10.053 Base-Backbone interact. energy: -0.000 local terms energy: -17.358630 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -1.756 flat angles P-C4'-P energy: -3.008 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: 4, replica: 3 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -25.726026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.726026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.726026 (E_RNA) where: Base-Base interactions energy: -7.238 where: short stacking energy: -7.361 Base-Backbone interact. energy: -0.353 local terms energy: -18.135202 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.412 flat angles P-C4'-P energy: -2.753 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: 5, replica: 1 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -24.371177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.371177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.371177 (E_RNA) where: Base-Base interactions energy: -8.457 where: short stacking energy: -8.759 Base-Backbone interact. energy: -0.000 local terms energy: -15.913628 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -3.347 flat angles P-C4'-P energy: -3.090 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: 4 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -27.293918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.293918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.293918 (E_RNA) where: Base-Base interactions energy: -7.095 where: short stacking energy: -7.095 Base-Backbone interact. energy: -0.000 local terms energy: -20.198398 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.311 flat angles P-C4'-P energy: -3.663 tors. eta vs tors. theta energy: -2.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -19.471340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.471340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.471340 (E_RNA) where: Base-Base interactions energy: -2.974 where: short stacking energy: -2.974 Base-Backbone interact. energy: -0.007 local terms energy: -16.490306 where: bonds (distance) C4'-P energy: -4.535 bonds (distance) P-C4' energy: -3.643 flat angles C4'-P-C4' energy: -3.831 flat angles P-C4'-P energy: -4.050 tors. eta vs tors. theta energy: -0.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -22.956375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.956375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.956375 (E_RNA) where: Base-Base interactions energy: -6.712 where: short stacking energy: -6.712 Base-Backbone interact. energy: -0.000 local terms energy: -16.244695 where: bonds (distance) C4'-P energy: -2.672 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.235 flat angles P-C4'-P energy: -2.506 tors. eta vs tors. theta energy: -1.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -22.124915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.124915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.124915 (E_RNA) where: Base-Base interactions energy: -7.049 where: short stacking energy: -7.049 Base-Backbone interact. energy: -0.021 local terms energy: -15.055121 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -1.264 flat angles P-C4'-P energy: -2.025 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: 10, replica: 9 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -20.064115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.064115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.064115 (E_RNA) where: Base-Base interactions energy: -4.113 where: short stacking energy: -4.113 Base-Backbone interact. energy: -0.000 local terms energy: -15.950625 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -2.775 flat angles P-C4'-P energy: -2.075 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: 7 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -21.860694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.860694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.860694 (E_RNA) where: Base-Base interactions energy: -2.800 where: short stacking energy: -2.800 Base-Backbone interact. energy: -0.000 local terms energy: -19.060270 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -4.413 flat angles C4'-P-C4' energy: -4.386 flat angles P-C4'-P energy: -2.491 tors. eta vs tors. theta energy: -3.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -26.062072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.062072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.062072 (E_RNA) where: Base-Base interactions energy: -8.075 where: short stacking energy: -8.075 Base-Backbone interact. energy: -0.000 local terms energy: -17.986598 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -1.897 flat angles P-C4'-P energy: -3.681 tors. eta vs tors. theta energy: -3.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -24.232755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.232755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.232755 (E_RNA) where: Base-Base interactions energy: -7.403 where: short stacking energy: -7.403 Base-Backbone interact. energy: -0.000 local terms energy: -16.829997 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -2.680 flat angles C4'-P-C4' energy: -4.218 flat angles P-C4'-P energy: -3.277 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: 1 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -30.274226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.274226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.274226 (E_RNA) where: Base-Base interactions energy: -10.364 where: short stacking energy: -10.364 Base-Backbone interact. energy: -0.000 local terms energy: -19.910370 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -4.395 flat angles P-C4'-P energy: -3.269 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: 5, replica: 3 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -26.187586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.187586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.187586 (E_RNA) where: Base-Base interactions energy: -10.036 where: short stacking energy: -10.036 Base-Backbone interact. energy: -0.000 local terms energy: -16.151303 where: bonds (distance) C4'-P energy: -2.598 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.620 flat angles P-C4'-P energy: -1.087 tors. eta vs tors. theta energy: -3.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -21.747166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.747166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.747166 (E_RNA) where: Base-Base interactions energy: -7.307 where: short stacking energy: -7.307 Base-Backbone interact. energy: -0.011 local terms energy: -14.428659 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -2.646 flat angles C4'-P-C4' energy: -4.200 flat angles P-C4'-P energy: -2.801 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: 7, replica: 4 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -23.699191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.699191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.699191 (E_RNA) where: Base-Base interactions energy: -8.622 where: short stacking energy: -8.622 Base-Backbone interact. energy: -0.062 local terms energy: -15.014571 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -4.137 flat angles C4'-P-C4' energy: -4.479 flat angles P-C4'-P energy: -2.456 tors. eta vs tors. theta energy: -0.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -22.253030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.253030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.253030 (E_RNA) where: Base-Base interactions energy: -6.600 where: short stacking energy: -6.600 Base-Backbone interact. energy: -0.000 local terms energy: -15.652612 where: bonds (distance) C4'-P energy: -3.335 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.760 flat angles P-C4'-P energy: -2.102 tors. eta vs tors. theta energy: -1.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -20.520940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.520940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.520940 (E_RNA) where: Base-Base interactions energy: -6.918 where: short stacking energy: -6.918 Base-Backbone interact. energy: -0.000 local terms energy: -13.602578 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -4.572 flat angles C4'-P-C4' energy: -1.313 flat angles P-C4'-P energy: -2.545 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: 10, replica: 9 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -20.807324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.807324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.807324 (E_RNA) where: Base-Base interactions energy: -6.678 where: short stacking energy: -6.678 Base-Backbone interact. energy: -0.001 local terms energy: -14.129126 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -3.786 flat angles C4'-P-C4' energy: -4.683 flat angles P-C4'-P energy: -1.301 tors. eta vs tors. theta energy: 0.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -25.930436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.930436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.930436 (E_RNA) where: Base-Base interactions energy: -8.091 where: short stacking energy: -8.091 Base-Backbone interact. energy: -0.000 local terms energy: -17.839703 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.142 flat angles P-C4'-P energy: -2.613 tors. eta vs tors. theta energy: -2.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -30.372381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.372381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.372381 (E_RNA) where: Base-Base interactions energy: -11.564 where: short stacking energy: -11.564 Base-Backbone interact. energy: -0.000 local terms energy: -18.807993 where: bonds (distance) C4'-P energy: -3.673 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -4.485 flat angles P-C4'-P energy: -2.845 tors. eta vs tors. theta energy: -3.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -26.406611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.406611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.406611 (E_RNA) where: Base-Base interactions energy: -10.332 where: short stacking energy: -10.332 Base-Backbone interact. energy: -0.000 local terms energy: -16.074475 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -4.842 flat angles C4'-P-C4' energy: -3.392 flat angles P-C4'-P energy: -1.022 tors. eta vs tors. theta energy: -3.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -26.719999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.719999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.719999 (E_RNA) where: Base-Base interactions energy: -10.804 where: short stacking energy: -10.804 Base-Backbone interact. energy: -0.000 local terms energy: -15.915524 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -3.548 flat angles C4'-P-C4' energy: -1.772 flat angles P-C4'-P energy: -3.873 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: 5, replica: 8 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -24.753160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.753160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.753160 (E_RNA) where: Base-Base interactions energy: -8.633 where: short stacking energy: -8.633 Base-Backbone interact. energy: 0.224 local terms energy: -16.343340 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.658 flat angles C4'-P-C4' energy: -4.289 flat angles P-C4'-P energy: -1.323 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: 6, replica: 3 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -22.411321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.411321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.411321 (E_RNA) where: Base-Base interactions energy: -4.668 where: short stacking energy: -4.668 Base-Backbone interact. energy: -0.007 local terms energy: -17.736988 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.014 flat angles P-C4'-P energy: -3.308 tors. eta vs tors. theta energy: -1.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -24.730719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.730719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.730719 (E_RNA) where: Base-Base interactions energy: -7.663 where: short stacking energy: -7.663 Base-Backbone interact. energy: -0.000 local terms energy: -17.067763 where: bonds (distance) C4'-P energy: -2.751 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -3.742 flat angles P-C4'-P energy: -2.340 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: 8, replica: 4 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -25.356853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.356853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.356853 (E_RNA) where: Base-Base interactions energy: -7.286 where: short stacking energy: -7.286 Base-Backbone interact. energy: -0.000 local terms energy: -18.071232 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.196 flat angles P-C4'-P energy: -3.061 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: 9, replica: 10 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -22.881257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.881257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.881257 (E_RNA) where: Base-Base interactions energy: -5.334 where: short stacking energy: -4.121 Base-Backbone interact. energy: -0.000 local terms energy: -17.546540 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.418 flat angles P-C4'-P energy: -2.897 tors. eta vs tors. theta energy: -1.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -22.031524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.031524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.031524 (E_RNA) where: Base-Base interactions energy: -6.159 where: short stacking energy: -6.159 Base-Backbone interact. energy: -0.026 local terms energy: -15.846001 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.235 flat angles P-C4'-P energy: -2.694 tors. eta vs tors. theta energy: -0.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -24.416634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.416634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.416634 (E_RNA) where: Base-Base interactions energy: -7.620 where: short stacking energy: -7.620 Base-Backbone interact. energy: -0.000 local terms energy: -16.796507 where: bonds (distance) C4'-P energy: -1.161 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.642 flat angles P-C4'-P energy: -3.929 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: 415 Temperature: 0.950000 Total energy: -26.953361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.953361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.953361 (E_RNA) where: Base-Base interactions energy: -9.224 where: short stacking energy: -9.224 Base-Backbone interact. energy: -0.000 local terms energy: -17.729199 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.536 flat angles P-C4'-P energy: -2.620 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: 7 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -27.237713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.237713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.237713 (E_RNA) where: Base-Base interactions energy: -8.636 where: short stacking energy: -8.636 Base-Backbone interact. energy: -0.000 local terms energy: -18.601267 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -2.313 flat angles P-C4'-P energy: -2.582 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: 4, replica: 8 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -29.439881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.439881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.439881 (E_RNA) where: Base-Base interactions energy: -9.887 where: short stacking energy: -9.887 Base-Backbone interact. energy: -0.000 local terms energy: -19.552825 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.375 flat angles P-C4'-P energy: -3.400 tors. eta vs tors. theta energy: -2.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -23.319466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.319466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.319466 (E_RNA) where: Base-Base interactions energy: -7.936 where: short stacking energy: -7.936 Base-Backbone interact. energy: -0.000 local terms energy: -15.383803 where: bonds (distance) C4'-P energy: -3.716 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -3.818 flat angles P-C4'-P energy: -1.483 tors. eta vs tors. theta energy: -1.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -24.820918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.820918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.820918 (E_RNA) where: Base-Base interactions energy: -8.221 where: short stacking energy: -8.221 Base-Backbone interact. energy: -0.002 local terms energy: -16.598744 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.305 flat angles P-C4'-P energy: -2.138 tors. eta vs tors. theta energy: -1.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -22.006086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.006086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.006086 (E_RNA) where: Base-Base interactions energy: -5.387 where: short stacking energy: -5.387 Base-Backbone interact. energy: -0.000 local terms energy: -16.618704 where: bonds (distance) C4'-P energy: -3.947 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -2.767 flat angles P-C4'-P energy: -1.916 tors. eta vs tors. theta energy: -2.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -20.690577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.690577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.690577 (E_RNA) where: Base-Base interactions energy: -6.879 where: short stacking energy: -6.879 Base-Backbone interact. energy: -0.100 local terms energy: -13.711456 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.051 flat angles C4'-P-C4' energy: -3.818 flat angles P-C4'-P energy: -2.054 tors. eta vs tors. theta energy: 0.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -25.563613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.563613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.563613 (E_RNA) where: Base-Base interactions energy: -10.991 where: short stacking energy: -10.991 Base-Backbone interact. energy: -0.000 local terms energy: -14.572891 where: bonds (distance) C4'-P energy: -2.279 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -3.157 flat angles P-C4'-P energy: -1.093 tors. eta vs tors. theta energy: -3.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -22.207510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.207510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.207510 (E_RNA) where: Base-Base interactions energy: -8.335 where: short stacking energy: -8.335 Base-Backbone interact. energy: -0.000 local terms energy: -13.872113 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -3.981 flat angles C4'-P-C4' energy: -2.167 flat angles P-C4'-P energy: -2.902 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: 1 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -28.850899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.850899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.850899 (E_RNA) where: Base-Base interactions energy: -11.020 where: short stacking energy: -11.020 Base-Backbone interact. energy: -0.000 local terms energy: -17.831176 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -2.454 flat angles P-C4'-P energy: -3.368 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: 2, replica: 6 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -25.995815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.995815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.995815 (E_RNA) where: Base-Base interactions energy: -7.363 where: short stacking energy: -8.237 Base-Backbone interact. energy: -0.000 local terms energy: -18.632878 where: bonds (distance) C4'-P energy: -4.009 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.947 flat angles P-C4'-P energy: -2.327 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: 3, replica: 8 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -28.085456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.085456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.085456 (E_RNA) where: Base-Base interactions energy: -10.772 where: short stacking energy: -10.772 Base-Backbone interact. energy: -0.000 local terms energy: -17.313422 where: bonds (distance) C4'-P energy: -2.299 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.235 flat angles P-C4'-P energy: -2.719 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: 4, replica: 7 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -23.314082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.314082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.314082 (E_RNA) where: Base-Base interactions energy: -8.310 where: short stacking energy: -8.310 Base-Backbone interact. energy: -0.135 local terms energy: -14.868227 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -1.603 flat angles P-C4'-P energy: -3.843 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: 5, replica: 5 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -25.573739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.573739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.573739 (E_RNA) where: Base-Base interactions energy: -7.407 where: short stacking energy: -8.035 Base-Backbone interact. energy: -0.037 local terms energy: -18.130228 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.325 flat angles P-C4'-P energy: -2.905 tors. eta vs tors. theta energy: -1.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -24.600478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.600478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.600478 (E_RNA) where: Base-Base interactions energy: -7.585 where: short stacking energy: -7.585 Base-Backbone interact. energy: -0.001 local terms energy: -17.015203 where: bonds (distance) C4'-P energy: -2.975 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -3.214 flat angles P-C4'-P energy: -3.891 tors. eta vs tors. theta energy: -2.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -24.251430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.251430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.251430 (E_RNA) where: Base-Base interactions energy: -8.042 where: short stacking energy: -8.042 Base-Backbone interact. energy: -0.007 local terms energy: -16.201929 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -3.401 flat angles P-C4'-P energy: -2.801 tors. eta vs tors. theta energy: -0.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -22.033559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.033559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.033559 (E_RNA) where: Base-Base interactions energy: -3.379 where: short stacking energy: -3.379 Base-Backbone interact. energy: -0.000 local terms energy: -18.654322 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.059 flat angles P-C4'-P energy: -3.672 tors. eta vs tors. theta energy: -1.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -22.303353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.303353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.303353 (E_RNA) where: Base-Base interactions energy: -2.697 where: short stacking energy: -2.697 Base-Backbone interact. energy: -0.000 local terms energy: -19.606707 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.832 flat angles P-C4'-P energy: -3.392 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: 10, replica: 4 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -20.054660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.054660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.054660 (E_RNA) where: Base-Base interactions energy: -9.141 where: short stacking energy: -9.141 Base-Backbone interact. energy: -0.000 local terms energy: -10.913559 where: bonds (distance) C4'-P energy: -1.907 bonds (distance) P-C4' energy: -3.845 flat angles C4'-P-C4' energy: -2.918 flat angles P-C4'-P energy: 1.847 tors. eta vs tors. theta energy: -4.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -31.668622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.668622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.668622 (E_RNA) where: Base-Base interactions energy: -11.232 where: short stacking energy: -11.232 Base-Backbone interact. energy: -0.000 local terms energy: -20.436629 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.104 flat angles C4'-P-C4' energy: -4.240 flat angles P-C4'-P energy: -3.538 tors. eta vs tors. theta energy: -3.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -24.594599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.594599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.594599 (E_RNA) where: Base-Base interactions energy: -6.138 where: short stacking energy: -6.138 Base-Backbone interact. energy: -0.002 local terms energy: -18.454973 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -3.479 flat angles P-C4'-P energy: -3.094 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: 3, replica: 6 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -24.443883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.443883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.443883 (E_RNA) where: Base-Base interactions energy: -7.462 where: short stacking energy: -7.462 Base-Backbone interact. energy: -0.437 local terms energy: -16.544083 where: bonds (distance) C4'-P energy: -3.575 bonds (distance) P-C4' energy: -3.578 flat angles C4'-P-C4' energy: -4.640 flat angles P-C4'-P energy: -2.978 tors. eta vs tors. theta energy: -1.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -23.780430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.780430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.780430 (E_RNA) where: Base-Base interactions energy: -7.795 where: short stacking energy: -7.795 Base-Backbone interact. energy: -0.009 local terms energy: -15.975722 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.292 flat angles P-C4'-P energy: -2.403 tors. eta vs tors. theta energy: -1.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -22.837929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.837929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.837929 (E_RNA) where: Base-Base interactions energy: -6.369 where: short stacking energy: -6.369 Base-Backbone interact. energy: -0.004 local terms energy: -16.464548 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.275 flat angles P-C4'-P energy: -1.804 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: 6, replica: 3 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -24.922340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.922340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.922340 (E_RNA) where: Base-Base interactions energy: -8.345 where: short stacking energy: -8.345 Base-Backbone interact. energy: -0.009 local terms energy: -16.568280 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -3.730 flat angles C4'-P-C4' energy: -4.241 flat angles P-C4'-P energy: -1.122 tors. eta vs tors. theta energy: -3.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -24.122178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.122178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.122178 (E_RNA) where: Base-Base interactions energy: -5.920 where: short stacking energy: -5.920 Base-Backbone interact. energy: -0.000 local terms energy: -18.202125 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -4.314 flat angles C4'-P-C4' energy: -2.973 flat angles P-C4'-P energy: -3.155 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: 8, replica: 9 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -20.140863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.140863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.140863 (E_RNA) where: Base-Base interactions energy: -6.971 where: short stacking energy: -6.971 Base-Backbone interact. energy: 0.649 local terms energy: -13.818891 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -2.680 flat angles C4'-P-C4' energy: -4.167 flat angles P-C4'-P energy: -2.284 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: 9, replica: 10 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -25.393618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.393618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.393618 (E_RNA) where: Base-Base interactions energy: -9.937 where: short stacking energy: -9.937 Base-Backbone interact. energy: -0.000 local terms energy: -15.456826 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -2.744 flat angles C4'-P-C4' energy: -2.922 flat angles P-C4'-P energy: -2.113 tors. eta vs tors. theta energy: -3.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -18.994588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.994588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.994588 (E_RNA) where: Base-Base interactions energy: -3.487 where: short stacking energy: -3.487 Base-Backbone interact. energy: -0.000 local terms energy: -15.507279 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.576 flat angles P-C4'-P energy: -2.288 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: 418 Temperature: 0.900000 Total energy: -31.586439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.586439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.586439 (E_RNA) where: Base-Base interactions energy: -11.209 where: short stacking energy: -11.209 Base-Backbone interact. energy: -0.000 local terms energy: -20.377770 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -3.548 flat angles C4'-P-C4' energy: -4.648 flat angles P-C4'-P energy: -2.973 tors. eta vs tors. theta energy: -4.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -26.278244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.278244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.278244 (E_RNA) where: Base-Base interactions energy: -7.091 where: short stacking energy: -7.091 Base-Backbone interact. energy: -0.000 local terms energy: -19.186764 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -4.132 flat angles P-C4'-P energy: -2.155 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: 3, replica: 7 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -24.406435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.406435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.406435 (E_RNA) where: Base-Base interactions energy: -8.212 where: short stacking energy: -8.212 Base-Backbone interact. energy: -0.000 local terms energy: -16.194142 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.139 flat angles P-C4'-P energy: -2.845 tors. eta vs tors. theta energy: -0.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -26.194467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.194467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.194467 (E_RNA) where: Base-Base interactions energy: -9.840 where: short stacking energy: -9.840 Base-Backbone interact. energy: -0.002 local terms energy: -16.352359 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -2.699 flat angles C4'-P-C4' energy: -4.252 flat angles P-C4'-P energy: -2.936 tors. eta vs tors. theta energy: -2.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -23.351184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.351184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.351184 (E_RNA) where: Base-Base interactions energy: -6.646 where: short stacking energy: -6.646 Base-Backbone interact. energy: -0.000 local terms energy: -16.705274 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -2.747 flat angles C4'-P-C4' energy: -4.515 flat angles P-C4'-P energy: -2.306 tors. eta vs tors. theta energy: -2.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -24.235173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.235173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.235173 (E_RNA) where: Base-Base interactions energy: -6.407 where: short stacking energy: -6.407 Base-Backbone interact. energy: -0.000 local terms energy: -17.827658 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.073 flat angles P-C4'-P energy: -3.021 tors. eta vs tors. theta energy: -1.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -22.087360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.087360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.087360 (E_RNA) where: Base-Base interactions energy: -3.870 where: short stacking energy: -3.870 Base-Backbone interact. energy: -0.000 local terms energy: -18.217405 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.500 flat angles P-C4'-P energy: -3.502 tors. eta vs tors. theta energy: -1.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -21.344525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.344525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.344525 (E_RNA) where: Base-Base interactions energy: -6.082 where: short stacking energy: -6.082 Base-Backbone interact. energy: -0.012 local terms energy: -15.250751 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -3.751 flat angles C4'-P-C4' energy: -3.474 flat angles P-C4'-P energy: -1.604 tors. eta vs tors. theta energy: -2.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -21.737322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.737322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.737322 (E_RNA) where: Base-Base interactions energy: -6.716 where: short stacking energy: -6.716 Base-Backbone interact. energy: -0.028 local terms energy: -14.993202 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.314 flat angles C4'-P-C4' energy: -4.418 flat angles P-C4'-P energy: -2.703 tors. eta vs tors. theta energy: 0.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -21.074654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.074654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.074654 (E_RNA) where: Base-Base interactions energy: -3.431 where: short stacking energy: -3.431 Base-Backbone interact. energy: -0.000 local terms energy: -17.643810 where: bonds (distance) C4'-P energy: -2.904 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.712 flat angles P-C4'-P energy: -2.710 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: 1, replica: 8 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -26.636545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.636545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.636545 (E_RNA) where: Base-Base interactions energy: -10.204 where: short stacking energy: -10.204 Base-Backbone interact. energy: -0.049 local terms energy: -16.383439 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -2.912 flat angles P-C4'-P energy: -1.767 tors. eta vs tors. theta energy: -2.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -26.130204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.130204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.130204 (E_RNA) where: Base-Base interactions energy: -5.460 where: short stacking energy: -5.460 Base-Backbone interact. energy: -0.000 local terms energy: -20.669876 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.377 flat angles P-C4'-P energy: -3.488 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: 1 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -25.569488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.569488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.569488 (E_RNA) where: Base-Base interactions energy: -8.995 where: short stacking energy: -8.995 Base-Backbone interact. energy: 0.825 local terms energy: -17.399998 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -3.793 flat angles C4'-P-C4' energy: -2.800 flat angles P-C4'-P energy: -3.362 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: 4, replica: 3 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -26.380284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.380284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.380284 (E_RNA) where: Base-Base interactions energy: -8.159 where: short stacking energy: -8.159 Base-Backbone interact. energy: -0.976 local terms energy: -17.245245 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.820 flat angles P-C4'-P energy: -3.632 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: 5, replica: 6 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -25.487761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.487761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.487761 (E_RNA) where: Base-Base interactions energy: -7.821 where: short stacking energy: -7.821 Base-Backbone interact. energy: -0.000 local terms energy: -17.667077 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.483 flat angles P-C4'-P energy: -3.740 tors. eta vs tors. theta energy: -0.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -23.084730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.084730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.084730 (E_RNA) where: Base-Base interactions energy: -7.224 where: short stacking energy: -7.224 Base-Backbone interact. energy: -0.016 local terms energy: -15.844672 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.386 flat angles P-C4'-P energy: -2.714 tors. eta vs tors. theta energy: -0.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -23.722481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.722481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.722481 (E_RNA) where: Base-Base interactions energy: -7.063 where: short stacking energy: -7.063 Base-Backbone interact. energy: -0.002 local terms energy: -16.657958 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -3.560 flat angles C4'-P-C4' energy: -3.835 flat angles P-C4'-P energy: -3.759 tors. eta vs tors. theta energy: -1.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -21.542298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.542298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.542298 (E_RNA) where: Base-Base interactions energy: -6.213 where: short stacking energy: -6.213 Base-Backbone interact. energy: -0.001 local terms energy: -15.328730 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -3.007 flat angles P-C4'-P energy: -2.859 tors. eta vs tors. theta energy: -0.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -21.945046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.945046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.945046 (E_RNA) where: Base-Base interactions energy: -3.851 where: short stacking energy: -3.851 Base-Backbone interact. energy: -0.020 local terms energy: -18.073435 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -2.109 flat angles P-C4'-P energy: -3.287 tors. eta vs tors. theta energy: -3.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -19.685245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.685245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.685245 (E_RNA) where: Base-Base interactions energy: -2.898 where: short stacking energy: -2.898 Base-Backbone interact. energy: -0.000 local terms energy: -16.787385 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -3.748 flat angles C4'-P-C4' energy: -3.974 flat angles P-C4'-P energy: -2.653 tors. eta vs tors. theta energy: -1.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -31.607654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.607654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.607654 (E_RNA) where: Base-Base interactions energy: -11.847 where: short stacking energy: -11.847 Base-Backbone interact. energy: -0.001 local terms energy: -19.758682 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.561 flat angles P-C4'-P energy: -3.058 tors. eta vs tors. theta energy: -3.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -26.843460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.843460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.843460 (E_RNA) where: Base-Base interactions energy: -8.862 where: short stacking energy: -8.862 Base-Backbone interact. energy: -0.098 local terms energy: -17.883278 where: bonds (distance) C4'-P energy: -3.897 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.508 flat angles P-C4'-P energy: -3.433 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: 3, replica: 3 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -27.264462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.264462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.264462 (E_RNA) where: Base-Base interactions energy: -7.231 where: short stacking energy: -7.357 Base-Backbone interact. energy: -0.100 local terms energy: -19.933027 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.413 flat angles C4'-P-C4' energy: -4.628 flat angles P-C4'-P energy: -3.823 tors. eta vs tors. theta energy: -2.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -28.881111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.881111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.881111 (E_RNA) where: Base-Base interactions energy: -10.397 where: short stacking energy: -10.397 Base-Backbone interact. energy: -0.004 local terms energy: -18.480216 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.524 flat angles P-C4'-P energy: -1.882 tors. eta vs tors. theta energy: -3.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -27.070503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.070503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.070503 (E_RNA) where: Base-Base interactions energy: -10.964 where: short stacking energy: -11.111 Base-Backbone interact. energy: -0.026 local terms energy: -16.080367 where: bonds (distance) C4'-P energy: -3.152 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.030 flat angles P-C4'-P energy: -1.296 tors. eta vs tors. theta energy: -3.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -23.450335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.450335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.450335 (E_RNA) where: Base-Base interactions energy: -6.849 where: short stacking energy: -6.849 Base-Backbone interact. energy: -0.000 local terms energy: -16.601381 where: bonds (distance) C4'-P energy: -2.975 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -1.898 flat angles P-C4'-P energy: -3.022 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: 7, replica: 4 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -21.691216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.691216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.691216 (E_RNA) where: Base-Base interactions energy: -7.098 where: short stacking energy: -7.098 Base-Backbone interact. energy: -0.000 local terms energy: -14.592899 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -1.018 flat angles P-C4'-P energy: -2.504 tors. eta vs tors. theta energy: -2.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -22.049912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.049912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.049912 (E_RNA) where: Base-Base interactions energy: -6.622 where: short stacking energy: -6.622 Base-Backbone interact. energy: -0.002 local terms energy: -15.426270 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.575 flat angles C4'-P-C4' energy: -4.019 flat angles P-C4'-P energy: -3.326 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: 9, replica: 10 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -24.618514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.618514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.618514 (E_RNA) where: Base-Base interactions energy: -6.442 where: short stacking energy: -7.507 Base-Backbone interact. energy: -0.025 local terms energy: -18.151945 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.613 flat angles P-C4'-P energy: -1.974 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: 2 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -20.781198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.781198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.781198 (E_RNA) where: Base-Base interactions energy: -8.048 where: short stacking energy: -8.048 Base-Backbone interact. energy: -0.001 local terms energy: -12.732648 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -3.885 flat angles C4'-P-C4' energy: -0.181 flat angles P-C4'-P energy: -2.344 tors. eta vs tors. theta energy: -1.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -24.663470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.663470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.663470 (E_RNA) where: Base-Base interactions energy: -7.776 where: short stacking energy: -7.776 Base-Backbone interact. energy: -0.119 local terms energy: -16.768527 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.554 flat angles P-C4'-P energy: -3.087 tors. eta vs tors. theta energy: -1.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -29.915183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.915183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.915183 (E_RNA) where: Base-Base interactions energy: -10.918 where: short stacking energy: -10.918 Base-Backbone interact. energy: -0.000 local terms energy: -18.997007 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.712 flat angles P-C4'-P energy: -1.957 tors. eta vs tors. theta energy: -3.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -29.277617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.277617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.277617 (E_RNA) where: Base-Base interactions energy: -10.377 where: short stacking energy: -10.377 Base-Backbone interact. energy: -0.000 local terms energy: -18.900076 where: bonds (distance) C4'-P energy: -3.306 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.909 flat angles P-C4'-P energy: -3.374 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: 4, replica: 9 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -24.494975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.494975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.494975 (E_RNA) where: Base-Base interactions energy: -7.897 where: short stacking energy: -7.897 Base-Backbone interact. energy: -0.015 local terms energy: -16.582721 where: bonds (distance) C4'-P energy: -3.799 bonds (distance) P-C4' energy: -4.339 flat angles C4'-P-C4' energy: -3.878 flat angles P-C4'-P energy: -1.884 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: 5, replica: 1 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -21.301479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.301479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.301479 (E_RNA) where: Base-Base interactions energy: -4.394 where: short stacking energy: -4.394 Base-Backbone interact. energy: -0.090 local terms energy: -16.817385 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.657 flat angles P-C4'-P energy: -2.638 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: 6, replica: 4 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -22.659290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.659290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.659290 (E_RNA) where: Base-Base interactions energy: -9.422 where: short stacking energy: -9.422 Base-Backbone interact. energy: -0.088 local terms energy: -13.150226 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -1.538 flat angles C4'-P-C4' energy: -3.993 flat angles P-C4'-P energy: -3.171 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: 7, replica: 6 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -23.630781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.630781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.630781 (E_RNA) where: Base-Base interactions energy: -7.463 where: short stacking energy: -7.463 Base-Backbone interact. energy: 0.140 local terms energy: -16.308083 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.134 flat angles C4'-P-C4' energy: -4.173 flat angles P-C4'-P energy: -1.002 tors. eta vs tors. theta energy: -2.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -23.283619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.283619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.283619 (E_RNA) where: Base-Base interactions energy: -8.492 where: short stacking energy: -8.492 Base-Backbone interact. energy: -0.000 local terms energy: -14.791548 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -1.283 flat angles P-C4'-P energy: -2.247 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: 9, replica: 5 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -21.831738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.831738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.831738 (E_RNA) where: Base-Base interactions energy: -5.042 where: short stacking energy: -5.042 Base-Backbone interact. energy: -0.001 local terms energy: -16.789268 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -4.678 flat angles P-C4'-P energy: -2.723 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: 10, replica: 2 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -21.977430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.977430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.977430 (E_RNA) where: Base-Base interactions energy: -5.886 where: short stacking energy: -5.886 Base-Backbone interact. energy: -0.013 local terms energy: -16.078655 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -2.198 flat angles P-C4'-P energy: -1.882 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: 1, replica: 7 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -28.149883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.149883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.149883 (E_RNA) where: Base-Base interactions energy: -10.888 where: short stacking energy: -10.888 Base-Backbone interact. energy: -0.000 local terms energy: -17.261473 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -2.662 flat angles C4'-P-C4' energy: -4.500 flat angles P-C4'-P energy: -3.072 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: 2, replica: 3 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -30.631256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.631256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.631256 (E_RNA) where: Base-Base interactions energy: -12.359 where: short stacking energy: -12.359 Base-Backbone interact. energy: -0.014 local terms energy: -18.258156 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -3.675 flat angles P-C4'-P energy: -3.766 tors. eta vs tors. theta energy: -2.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -22.701048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.701048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.701048 (E_RNA) where: Base-Base interactions energy: -3.992 where: short stacking energy: -3.992 Base-Backbone interact. energy: -0.035 local terms energy: -18.674537 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.430 flat angles P-C4'-P energy: -3.318 tors. eta vs tors. theta energy: -1.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -26.612114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.612114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.612114 (E_RNA) where: Base-Base interactions energy: -10.482 where: short stacking energy: -10.482 Base-Backbone interact. energy: -0.000 local terms energy: -16.129904 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -2.945 flat angles P-C4'-P energy: -0.967 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: 5, replica: 1 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -22.234076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.234076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.234076 (E_RNA) where: Base-Base interactions energy: -7.122 where: short stacking energy: -7.122 Base-Backbone interact. energy: -0.002 local terms energy: -15.109536 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.103 flat angles C4'-P-C4' energy: -4.271 flat angles P-C4'-P energy: -2.890 tors. eta vs tors. theta energy: 0.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -24.605180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.605180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.605180 (E_RNA) where: Base-Base interactions energy: -8.629 where: short stacking energy: -8.629 Base-Backbone interact. energy: -0.018 local terms energy: -15.958340 where: bonds (distance) C4'-P energy: -4.009 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -3.946 flat angles P-C4'-P energy: -2.594 tors. eta vs tors. theta energy: -1.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -22.909010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.909010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.909010 (E_RNA) where: Base-Base interactions energy: -7.585 where: short stacking energy: -7.585 Base-Backbone interact. energy: -0.006 local terms energy: -15.317724 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -2.145 flat angles P-C4'-P energy: -1.258 tors. eta vs tors. theta energy: -2.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -22.186487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.186487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.186487 (E_RNA) where: Base-Base interactions energy: -7.603 where: short stacking energy: -7.603 Base-Backbone interact. energy: -0.004 local terms energy: -14.579721 where: bonds (distance) C4'-P energy: -3.152 bonds (distance) P-C4' energy: -4.339 flat angles C4'-P-C4' energy: -1.340 flat angles P-C4'-P energy: -3.814 tors. eta vs tors. theta energy: -1.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -24.664748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.664748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.664748 (E_RNA) where: Base-Base interactions energy: -7.204 where: short stacking energy: -7.204 Base-Backbone interact. energy: -0.036 local terms energy: -17.424528 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.500 flat angles P-C4'-P energy: -2.209 tors. eta vs tors. theta energy: -0.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -22.279778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.279778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.279778 (E_RNA) where: Base-Base interactions energy: -1.463 where: short stacking energy: -1.463 Base-Backbone interact. energy: -0.000 local terms energy: -20.817098 where: bonds (distance) C4'-P energy: -3.194 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.871 flat angles P-C4'-P energy: -2.894 tors. eta vs tors. theta energy: -5.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -25.463999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.463999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.463999 (E_RNA) where: Base-Base interactions energy: -8.015 where: short stacking energy: -8.015 Base-Backbone interact. energy: -0.001 local terms energy: -17.448610 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.416 flat angles P-C4'-P energy: -3.469 tors. eta vs tors. theta energy: -0.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -27.042360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.042360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.042360 (E_RNA) where: Base-Base interactions energy: -7.706 where: short stacking energy: -7.706 Base-Backbone interact. energy: -0.000 local terms energy: -19.336126 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.242 flat angles P-C4'-P energy: -2.591 tors. eta vs tors. theta energy: -3.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -24.558480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.558480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.558480 (E_RNA) where: Base-Base interactions energy: -7.497 where: short stacking energy: -7.497 Base-Backbone interact. energy: -0.093 local terms energy: -16.968201 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.943 flat angles P-C4'-P energy: -2.067 tors. eta vs tors. theta energy: -1.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -25.299728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.299728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.299728 (E_RNA) where: Base-Base interactions energy: -7.688 where: short stacking energy: -7.688 Base-Backbone interact. energy: -0.007 local terms energy: -17.604369 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.011 flat angles P-C4'-P energy: -3.135 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: 5, replica: 8 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -23.845834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.845834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.845834 (E_RNA) where: Base-Base interactions energy: -7.065 where: short stacking energy: -7.147 Base-Backbone interact. energy: -0.018 local terms energy: -16.762350 where: bonds (distance) C4'-P energy: -2.768 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.163 flat angles P-C4'-P energy: -3.151 tors. eta vs tors. theta energy: -1.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -26.004164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.004164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.004164 (E_RNA) where: Base-Base interactions energy: -10.547 where: short stacking energy: -10.547 Base-Backbone interact. energy: -0.000 local terms energy: -15.456795 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -2.015 flat angles C4'-P-C4' energy: -3.992 flat angles P-C4'-P energy: -2.569 tors. eta vs tors. theta energy: -3.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -25.536522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.536522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.536522 (E_RNA) where: Base-Base interactions energy: -8.718 where: short stacking energy: -8.718 Base-Backbone interact. energy: -0.000 local terms energy: -16.818324 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -3.987 flat angles C4'-P-C4' energy: -3.625 flat angles P-C4'-P energy: -1.797 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: 8, replica: 2 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -23.891050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.891050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.891050 (E_RNA) where: Base-Base interactions energy: -7.972 where: short stacking energy: -7.972 Base-Backbone interact. energy: -0.061 local terms energy: -15.858448 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -3.131 flat angles C4'-P-C4' energy: -4.540 flat angles P-C4'-P energy: -2.909 tors. eta vs tors. theta energy: -1.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -22.190057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.190057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.190057 (E_RNA) where: Base-Base interactions energy: -4.782 where: short stacking energy: -4.782 Base-Backbone interact. energy: -0.000 local terms energy: -17.408249 where: bonds (distance) C4'-P energy: -4.535 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -3.681 flat angles P-C4'-P energy: -2.730 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: 10, replica: 5 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -22.570763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.570763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.570763 (E_RNA) where: Base-Base interactions energy: -3.167 where: short stacking energy: -3.167 Base-Backbone interact. energy: -0.100 local terms energy: -19.304119 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.662 flat angles P-C4'-P energy: -3.434 tors. eta vs tors. theta energy: -2.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -26.348543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.348543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.348543 (E_RNA) where: Base-Base interactions energy: -8.423 where: short stacking energy: -8.423 Base-Backbone interact. energy: -0.063 local terms energy: -17.862407 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.509 flat angles P-C4'-P energy: -3.506 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: 7 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -25.674612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.674612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.674612 (E_RNA) where: Base-Base interactions energy: -8.764 where: short stacking energy: -8.764 Base-Backbone interact. energy: -0.000 local terms energy: -16.910106 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -3.969 flat angles C4'-P-C4' energy: -4.517 flat angles P-C4'-P energy: -1.580 tors. eta vs tors. theta energy: -2.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -29.652924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.652924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.652924 (E_RNA) where: Base-Base interactions energy: -9.547 where: short stacking energy: -9.547 Base-Backbone interact. energy: -0.000 local terms energy: -20.106376 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.186 flat angles P-C4'-P energy: -3.759 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: 4, replica: 9 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -25.434357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.434357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.434357 (E_RNA) where: Base-Base interactions energy: -10.332 where: short stacking energy: -10.332 Base-Backbone interact. energy: -0.005 local terms energy: -15.097104 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.109 flat angles P-C4'-P energy: -1.292 tors. eta vs tors. theta energy: -1.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -24.867538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.867538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.867538 (E_RNA) where: Base-Base interactions energy: -7.185 where: short stacking energy: -7.185 Base-Backbone interact. energy: -0.000 local terms energy: -17.682866 where: bonds (distance) C4'-P energy: -3.053 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -3.874 flat angles P-C4'-P energy: -2.149 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: 6, replica: 8 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -21.191714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.191714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.191714 (E_RNA) where: Base-Base interactions energy: -6.129 where: short stacking energy: -6.129 Base-Backbone interact. energy: -0.042 local terms energy: -15.020984 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -3.670 flat angles P-C4'-P energy: -3.766 tors. eta vs tors. theta energy: 1.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -23.494108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.494108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.494108 (E_RNA) where: Base-Base interactions energy: -6.495 where: short stacking energy: -6.495 Base-Backbone interact. energy: -0.085 local terms energy: -16.913826 where: bonds (distance) C4'-P energy: -3.645 bonds (distance) P-C4' energy: -3.656 flat angles C4'-P-C4' energy: -3.739 flat angles P-C4'-P energy: -3.586 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: 4 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -21.583403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.583403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.583403 (E_RNA) where: Base-Base interactions energy: -6.609 where: short stacking energy: -6.609 Base-Backbone interact. energy: -0.000 local terms energy: -14.974821 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.106 flat angles C4'-P-C4' energy: -3.552 flat angles P-C4'-P energy: -0.830 tors. eta vs tors. theta energy: -2.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -20.829603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.829603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.829603 (E_RNA) where: Base-Base interactions energy: -4.039 where: short stacking energy: -4.039 Base-Backbone interact. energy: -0.002 local terms energy: -16.788906 where: bonds (distance) C4'-P energy: -3.421 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.135 flat angles P-C4'-P energy: -3.348 tors. eta vs tors. theta energy: -0.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -19.221524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.221524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.221524 (E_RNA) where: Base-Base interactions energy: -3.195 where: short stacking energy: -3.195 Base-Backbone interact. energy: -0.000 local terms energy: -16.025902 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.258 flat angles P-C4'-P energy: -2.258 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: 1, replica: 3 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -26.978914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.978914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.978914 (E_RNA) where: Base-Base interactions energy: -11.213 where: short stacking energy: -11.213 Base-Backbone interact. energy: -0.023 local terms energy: -15.742663 where: bonds (distance) C4'-P energy: -2.812 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.830 flat angles P-C4'-P energy: -3.804 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: 2, replica: 7 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -26.450144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.450144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.450144 (E_RNA) where: Base-Base interactions energy: -8.284 where: short stacking energy: -8.284 Base-Backbone interact. energy: -0.014 local terms energy: -18.152397 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.670 flat angles P-C4'-P energy: -2.923 tors. eta vs tors. theta energy: -2.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -21.410890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.410890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.410890 (E_RNA) where: Base-Base interactions energy: -3.349 where: short stacking energy: -3.349 Base-Backbone interact. energy: -0.000 local terms energy: -18.061686 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -3.468 flat angles P-C4'-P energy: -3.483 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: 4, replica: 10 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -23.039534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.039534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.039534 (E_RNA) where: Base-Base interactions energy: -5.195 where: short stacking energy: -5.195 Base-Backbone interact. energy: -0.072 local terms energy: -17.772329 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.858 flat angles P-C4'-P energy: -2.355 tors. eta vs tors. theta energy: -2.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -23.629439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.629439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.629439 (E_RNA) where: Base-Base interactions energy: -8.156 where: short stacking energy: -8.156 Base-Backbone interact. energy: -0.071 local terms energy: -15.402305 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -2.746 flat angles P-C4'-P energy: -3.432 tors. eta vs tors. theta energy: -0.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -23.252726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.252726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.252726 (E_RNA) where: Base-Base interactions energy: -6.954 where: short stacking energy: -6.954 Base-Backbone interact. energy: -0.001 local terms energy: -16.298090 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -4.575 flat angles C4'-P-C4' energy: -3.291 flat angles P-C4'-P energy: -3.211 tors. eta vs tors. theta energy: -1.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -22.818785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.818785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.818785 (E_RNA) where: Base-Base interactions energy: -4.870 where: short stacking energy: -4.870 Base-Backbone interact. energy: -0.040 local terms energy: -17.908308 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -4.606 flat angles C4'-P-C4' energy: -4.060 flat angles P-C4'-P energy: -2.811 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: 8, replica: 5 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -21.541158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.541158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.541158 (E_RNA) where: Base-Base interactions energy: -5.502 where: short stacking energy: -5.502 Base-Backbone interact. energy: -0.000 local terms energy: -16.038881 where: bonds (distance) C4'-P energy: -3.285 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.537 flat angles P-C4'-P energy: -2.709 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: 9, replica: 4 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -22.697165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.697165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.697165 (E_RNA) where: Base-Base interactions energy: -5.972 where: short stacking energy: -5.972 Base-Backbone interact. energy: -0.001 local terms energy: -16.723945 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.557 flat angles C4'-P-C4' energy: -4.438 flat angles P-C4'-P energy: -1.781 tors. eta vs tors. theta energy: -2.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -22.828517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.828517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.828517 (E_RNA) where: Base-Base interactions energy: -6.797 where: short stacking energy: -6.797 Base-Backbone interact. energy: -0.000 local terms energy: -16.031720 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.890 flat angles P-C4'-P energy: -2.264 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: 1, replica: 7 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -31.856016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.856016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.856016 (E_RNA) where: Base-Base interactions energy: -12.128 where: short stacking energy: -12.128 Base-Backbone interact. energy: -0.000 local terms energy: -19.727916 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.205 flat angles C4'-P-C4' energy: -4.428 flat angles P-C4'-P energy: -3.087 tors. eta vs tors. theta energy: -3.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -31.243298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.243298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.243298 (E_RNA) where: Base-Base interactions energy: -11.225 where: short stacking energy: -11.225 Base-Backbone interact. energy: -0.000 local terms energy: -20.018214 where: bonds (distance) C4'-P energy: -3.939 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -3.873 flat angles P-C4'-P energy: -2.398 tors. eta vs tors. theta energy: -5.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -28.932092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.932092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.932092 (E_RNA) where: Base-Base interactions energy: -11.054 where: short stacking energy: -11.054 Base-Backbone interact. energy: -0.091 local terms energy: -17.787479 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -3.815 flat angles C4'-P-C4' energy: -4.206 flat angles P-C4'-P energy: -2.631 tors. eta vs tors. theta energy: -2.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -25.923261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.923261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.923261 (E_RNA) where: Base-Base interactions energy: -6.422 where: short stacking energy: -6.422 Base-Backbone interact. energy: -0.000 local terms energy: -19.500704 where: bonds (distance) C4'-P energy: -3.380 bonds (distance) P-C4' energy: -4.631 flat angles C4'-P-C4' energy: -3.650 flat angles P-C4'-P energy: -2.914 tors. eta vs tors. theta energy: -4.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -29.926512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.926512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.926512 (E_RNA) where: Base-Base interactions energy: -11.249 where: short stacking energy: -11.249 Base-Backbone interact. energy: -0.000 local terms energy: -18.677551 where: bonds (distance) C4'-P energy: -3.789 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -2.440 flat angles P-C4'-P energy: -2.883 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: 6, replica: 9 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -21.167114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.167114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.167114 (E_RNA) where: Base-Base interactions energy: -6.189 where: short stacking energy: -6.189 Base-Backbone interact. energy: -0.011 local terms energy: -14.967039 where: bonds (distance) C4'-P energy: -2.014 bonds (distance) P-C4' energy: -4.110 flat angles C4'-P-C4' energy: -4.216 flat angles P-C4'-P energy: -2.317 tors. eta vs tors. theta energy: -2.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -22.797613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.797613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.797613 (E_RNA) where: Base-Base interactions energy: -5.484 where: short stacking energy: -5.484 Base-Backbone interact. energy: -0.000 local terms energy: -17.313033 where: bonds (distance) C4'-P energy: -3.309 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -4.043 flat angles P-C4'-P energy: -1.714 tors. eta vs tors. theta energy: -3.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -25.317318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.317318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.317318 (E_RNA) where: Base-Base interactions energy: -8.157 where: short stacking energy: -8.157 Base-Backbone interact. energy: -0.002 local terms energy: -17.158337 where: bonds (distance) C4'-P energy: -3.417 bonds (distance) P-C4' energy: -3.815 flat angles C4'-P-C4' energy: -3.631 flat angles P-C4'-P energy: -3.492 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: 9, replica: 6 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -22.814753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.814753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.814753 (E_RNA) where: Base-Base interactions energy: -5.263 where: short stacking energy: -5.263 Base-Backbone interact. energy: -0.000 local terms energy: -17.551916 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -3.402 flat angles P-C4'-P energy: -3.094 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: 10, replica: 4 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -20.027320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.027320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.027320 (E_RNA) where: Base-Base interactions energy: -3.564 where: short stacking energy: -3.564 Base-Backbone interact. energy: -0.002 local terms energy: -16.461172 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.520 flat angles P-C4'-P energy: -2.073 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: 1, replica: 7 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -27.044557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.044557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.044557 (E_RNA) where: Base-Base interactions energy: -7.923 where: short stacking energy: -7.923 Base-Backbone interact. energy: -0.000 local terms energy: -19.121263 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.829 flat angles P-C4'-P energy: -2.808 tors. eta vs tors. theta energy: -3.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -23.927429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.927429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.927429 (E_RNA) where: Base-Base interactions energy: -7.727 where: short stacking energy: -7.727 Base-Backbone interact. energy: -0.001 local terms energy: -16.199505 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.119 flat angles P-C4'-P energy: -1.433 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: 3, replica: 3 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -27.109472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.109472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.109472 (E_RNA) where: Base-Base interactions energy: -10.539 where: short stacking energy: -10.539 Base-Backbone interact. energy: -0.017 local terms energy: -16.553494 where: bonds (distance) C4'-P energy: -2.085 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.595 flat angles P-C4'-P energy: -2.634 tors. eta vs tors. theta energy: -3.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -23.340525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.340525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.340525 (E_RNA) where: Base-Base interactions energy: -3.761 where: short stacking energy: -3.761 Base-Backbone interact. energy: -0.000 local terms energy: -19.579806 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.426 flat angles P-C4'-P energy: -3.693 tors. eta vs tors. theta energy: -2.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -20.502197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.502197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.502197 (E_RNA) where: Base-Base interactions energy: -4.507 where: short stacking energy: -4.507 Base-Backbone interact. energy: -0.050 local terms energy: -15.945311 where: bonds (distance) C4'-P energy: -2.415 bonds (distance) P-C4' energy: -3.364 flat angles C4'-P-C4' energy: -3.657 flat angles P-C4'-P energy: -3.008 tors. eta vs tors. theta energy: -3.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -21.907333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.907333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.907333 (E_RNA) where: Base-Base interactions energy: -4.736 where: short stacking energy: -4.736 Base-Backbone interact. energy: -0.007 local terms energy: -17.164527 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.628 flat angles P-C4'-P energy: -3.186 tors. eta vs tors. theta energy: -0.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -23.806311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.806311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.806311 (E_RNA) where: Base-Base interactions energy: -6.828 where: short stacking energy: -6.828 Base-Backbone interact. energy: -0.001 local terms energy: -16.977137 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.408 flat angles P-C4'-P energy: -2.704 tors. eta vs tors. theta energy: -2.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -20.546866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.546866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.546866 (E_RNA) where: Base-Base interactions energy: -5.996 where: short stacking energy: -5.996 Base-Backbone interact. energy: -0.006 local terms energy: -14.544934 where: bonds (distance) C4'-P energy: -4.643 bonds (distance) P-C4' energy: -3.790 flat angles C4'-P-C4' energy: -3.368 flat angles P-C4'-P energy: -2.822 tors. eta vs tors. theta energy: 0.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -21.534889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.534889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.534889 (E_RNA) where: Base-Base interactions energy: -4.153 where: short stacking energy: -4.153 Base-Backbone interact. energy: -0.003 local terms energy: -17.378886 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.046 flat angles P-C4'-P energy: -3.051 tors. eta vs tors. theta energy: -0.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -18.637707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.637707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.637707 (E_RNA) where: Base-Base interactions energy: -3.916 where: short stacking energy: -3.916 Base-Backbone interact. energy: -0.000 local terms energy: -14.722102 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -1.674 flat angles C4'-P-C4' energy: -4.157 flat angles P-C4'-P energy: -3.319 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: 1, replica: 1 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -27.499334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.499334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.499334 (E_RNA) where: Base-Base interactions energy: -9.788 where: short stacking energy: -10.434 Base-Backbone interact. energy: -0.166 local terms energy: -17.544563 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.129 flat angles P-C4'-P energy: -3.107 tors. eta vs tors. theta energy: -1.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -23.717392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.717392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.717392 (E_RNA) where: Base-Base interactions energy: -7.964 where: short stacking energy: -7.964 Base-Backbone interact. energy: -0.000 local terms energy: -15.752881 where: bonds (distance) C4'-P energy: -2.121 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.637 flat angles P-C4'-P energy: -2.108 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: 3, replica: 2 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -25.896324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.896324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.896324 (E_RNA) where: Base-Base interactions energy: -5.725 where: short stacking energy: -5.725 Base-Backbone interact. energy: -0.000 local terms energy: -20.171247 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.837 flat angles P-C4'-P energy: -3.568 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: 4, replica: 3 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -26.483825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.483825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.483825 (E_RNA) where: Base-Base interactions energy: -6.905 where: short stacking energy: -6.905 Base-Backbone interact. energy: -0.000 local terms energy: -19.579183 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.149 flat angles C4'-P-C4' energy: -4.540 flat angles P-C4'-P energy: -2.844 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: 5, replica: 5 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -24.678832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.678832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.678832 (E_RNA) where: Base-Base interactions energy: -8.779 where: short stacking energy: -8.779 Base-Backbone interact. energy: -0.000 local terms energy: -15.899430 where: bonds (distance) C4'-P energy: -3.194 bonds (distance) P-C4' energy: -2.386 flat angles C4'-P-C4' energy: -4.869 flat angles P-C4'-P energy: -3.491 tors. eta vs tors. theta energy: -1.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -23.536017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.536017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.536017 (E_RNA) where: Base-Base interactions energy: -10.151 where: short stacking energy: -10.151 Base-Backbone interact. energy: -0.000 local terms energy: -13.385078 where: bonds (distance) C4'-P energy: -2.962 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -1.502 flat angles P-C4'-P energy: -1.643 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: 7, replica: 6 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -22.613096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.613096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.613096 (E_RNA) where: Base-Base interactions energy: -5.960 where: short stacking energy: -5.960 Base-Backbone interact. energy: -0.001 local terms energy: -16.652248 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.733 flat angles P-C4'-P energy: -3.702 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: 8, replica: 9 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -21.669267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.669267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.669267 (E_RNA) where: Base-Base interactions energy: -6.266 where: short stacking energy: -6.266 Base-Backbone interact. energy: -1.216 local terms energy: -14.187189 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -1.367 flat angles C4'-P-C4' energy: -4.702 flat angles P-C4'-P energy: -1.643 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: 4 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -22.474099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.474099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.474099 (E_RNA) where: Base-Base interactions energy: -7.935 where: short stacking energy: -7.935 Base-Backbone interact. energy: -0.000 local terms energy: -14.539566 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -3.494 flat angles P-C4'-P energy: 0.867 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: 10, replica: 8 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -21.744285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.744285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.744285 (E_RNA) where: Base-Base interactions energy: -4.919 where: short stacking energy: -4.919 Base-Backbone interact. energy: -0.097 local terms energy: -16.727711 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.880 flat angles P-C4'-P energy: -3.021 tors. eta vs tors. theta energy: -0.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -26.477501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.477501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.477501 (E_RNA) where: Base-Base interactions energy: -8.291 where: short stacking energy: -8.291 Base-Backbone interact. energy: -0.000 local terms energy: -18.186141 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.256 flat angles P-C4'-P energy: -2.072 tors. eta vs tors. theta energy: -2.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -22.806590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.806590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.806590 (E_RNA) where: Base-Base interactions energy: -4.797 where: short stacking energy: -4.797 Base-Backbone interact. energy: -0.049 local terms energy: -17.960080 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.311 flat angles C4'-P-C4' energy: -4.085 flat angles P-C4'-P energy: -3.892 tors. eta vs tors. theta energy: -1.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -27.611001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.611001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.611001 (E_RNA) where: Base-Base interactions energy: -8.865 where: short stacking energy: -8.865 Base-Backbone interact. energy: -0.000 local terms energy: -18.745657 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -4.059 flat angles P-C4'-P energy: -2.786 tors. eta vs tors. theta energy: -2.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -23.528695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.528695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.528695 (E_RNA) where: Base-Base interactions energy: -6.682 where: short stacking energy: -6.682 Base-Backbone interact. energy: -0.000 local terms energy: -16.846723 where: bonds (distance) C4'-P energy: -3.380 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.275 flat angles P-C4'-P energy: -3.448 tors. eta vs tors. theta energy: -0.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -21.874466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.874466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.874466 (E_RNA) where: Base-Base interactions energy: -7.099 where: short stacking energy: -7.099 Base-Backbone interact. energy: -0.020 local terms energy: -14.755549 where: bonds (distance) C4'-P energy: -2.503 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -4.839 flat angles P-C4'-P energy: -3.113 tors. eta vs tors. theta energy: -0.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -25.818914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.818914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.818914 (E_RNA) where: Base-Base interactions energy: -9.133 where: short stacking energy: -9.133 Base-Backbone interact. energy: -0.000 local terms energy: -16.686302 where: bonds (distance) C4'-P energy: -3.335 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -4.106 flat angles P-C4'-P energy: -1.864 tors. eta vs tors. theta energy: -2.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -24.963207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.963207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.963207 (E_RNA) where: Base-Base interactions energy: -7.836 where: short stacking energy: -7.836 Base-Backbone interact. energy: -0.001 local terms energy: -17.126511 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.165 flat angles P-C4'-P energy: -3.222 tors. eta vs tors. theta energy: -1.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -21.523174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.523174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.523174 (E_RNA) where: Base-Base interactions energy: -3.737 where: short stacking energy: -3.737 Base-Backbone interact. energy: -0.000 local terms energy: -17.786216 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.447 flat angles P-C4'-P energy: -3.001 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: 9, replica: 9 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -22.252147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.252147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.252147 (E_RNA) where: Base-Base interactions energy: -9.872 where: short stacking energy: -9.872 Base-Backbone interact. energy: -0.123 local terms energy: -12.257221 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -2.951 flat angles P-C4'-P energy: -1.315 tors. eta vs tors. theta energy: -0.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -19.890944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.890944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.890944 (E_RNA) where: Base-Base interactions energy: -4.219 where: short stacking energy: -4.219 Base-Backbone interact. energy: -0.003 local terms energy: -15.669200 where: bonds (distance) C4'-P energy: -3.682 bonds (distance) P-C4' energy: -3.815 flat angles C4'-P-C4' energy: -3.720 flat angles P-C4'-P energy: -3.166 tors. eta vs tors. theta energy: -1.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -32.385283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.385283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.385283 (E_RNA) where: Base-Base interactions energy: -11.474 where: short stacking energy: -11.474 Base-Backbone interact. energy: -1.650 local terms energy: -19.261305 where: bonds (distance) C4'-P energy: -3.708 bonds (distance) P-C4' energy: -3.969 flat angles C4'-P-C4' energy: -4.383 flat angles P-C4'-P energy: -3.892 tors. eta vs tors. theta energy: -3.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -24.510545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.510545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.510545 (E_RNA) where: Base-Base interactions energy: -7.754 where: short stacking energy: -7.754 Base-Backbone interact. energy: -0.000 local terms energy: -16.756996 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -2.400 flat angles P-C4'-P energy: -2.286 tors. eta vs tors. theta energy: -3.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -27.116058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.116058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.116058 (E_RNA) where: Base-Base interactions energy: -8.784 where: short stacking energy: -8.784 Base-Backbone interact. energy: -0.000 local terms energy: -18.332066 where: bonds (distance) C4'-P energy: -3.389 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.975 flat angles P-C4'-P energy: -3.788 tors. eta vs tors. theta energy: -2.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -28.875753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.875753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.875753 (E_RNA) where: Base-Base interactions energy: -10.057 where: short stacking energy: -10.057 Base-Backbone interact. energy: -0.008 local terms energy: -18.810562 where: bonds (distance) C4'-P energy: -2.867 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.500 flat angles P-C4'-P energy: -3.142 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: 5, replica: 3 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -23.591688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.591688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.591688 (E_RNA) where: Base-Base interactions energy: -6.766 where: short stacking energy: -6.766 Base-Backbone interact. energy: -0.001 local terms energy: -16.824252 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -3.504 flat angles P-C4'-P energy: -3.920 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: 6, replica: 6 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -23.825895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.825895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.825895 (E_RNA) where: Base-Base interactions energy: -4.664 where: short stacking energy: -4.664 Base-Backbone interact. energy: -0.000 local terms energy: -19.161975 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.558 flat angles P-C4'-P energy: -2.873 tors. eta vs tors. theta energy: -2.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -21.837526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.837526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.837526 (E_RNA) where: Base-Base interactions energy: -4.889 where: short stacking energy: -4.889 Base-Backbone interact. energy: -0.001 local terms energy: -16.947319 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.092 flat angles P-C4'-P energy: -3.472 tors. eta vs tors. theta energy: 0.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -19.348307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.348307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.348307 (E_RNA) where: Base-Base interactions energy: -3.564 where: short stacking energy: -3.564 Base-Backbone interact. energy: -0.003 local terms energy: -15.781519 where: bonds (distance) C4'-P energy: -3.186 bonds (distance) P-C4' energy: -3.106 flat angles C4'-P-C4' energy: -3.941 flat angles P-C4'-P energy: -3.525 tors. eta vs tors. theta energy: -2.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -25.769025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.769025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.769025 (E_RNA) where: Base-Base interactions energy: -8.133 where: short stacking energy: -8.461 Base-Backbone interact. energy: -0.353 local terms energy: -17.283649 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -2.196 flat angles P-C4'-P energy: -3.475 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: 10, replica: 9 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -19.662998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.662998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.662998 (E_RNA) where: Base-Base interactions energy: -3.031 where: short stacking energy: -3.031 Base-Backbone interact. energy: -0.000 local terms energy: -16.631699 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.244 flat angles P-C4'-P energy: -3.355 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: 431 Temperature: 0.900000 Total energy: -28.630117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.630117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.630117 (E_RNA) where: Base-Base interactions energy: -10.919 where: short stacking energy: -10.919 Base-Backbone interact. energy: -0.000 local terms energy: -17.711295 where: bonds (distance) C4'-P energy: -3.861 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -4.383 flat angles P-C4'-P energy: -2.556 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: 5 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -28.460050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.460050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.460050 (E_RNA) where: Base-Base interactions energy: -7.844 where: short stacking energy: -7.844 Base-Backbone interact. energy: -1.183 local terms energy: -19.432867 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.621 flat angles P-C4'-P energy: -3.313 tors. eta vs tors. theta energy: -2.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -27.406695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.406695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.406695 (E_RNA) where: Base-Base interactions energy: -6.962 where: short stacking energy: -6.962 Base-Backbone interact. energy: -0.000 local terms energy: -20.444667 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.568 flat angles P-C4'-P energy: -4.117 tors. eta vs tors. theta energy: -3.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -24.017279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.017279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.017279 (E_RNA) where: Base-Base interactions energy: -7.295 where: short stacking energy: -7.295 Base-Backbone interact. energy: -0.122 local terms energy: -16.600845 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -3.815 flat angles C4'-P-C4' energy: -3.829 flat angles P-C4'-P energy: -3.721 tors. eta vs tors. theta energy: -0.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -24.236861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.236861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.236861 (E_RNA) where: Base-Base interactions energy: -8.170 where: short stacking energy: -8.170 Base-Backbone interact. energy: -0.000 local terms energy: -16.066463 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -1.951 flat angles P-C4'-P energy: -3.655 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: 6, replica: 4 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -25.905231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.905231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.905231 (E_RNA) where: Base-Base interactions energy: -8.230 where: short stacking energy: -8.230 Base-Backbone interact. energy: -0.000 local terms energy: -17.675475 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.088 flat angles P-C4'-P energy: -3.155 tors. eta vs tors. theta energy: -1.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -23.121558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.121558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.121558 (E_RNA) where: Base-Base interactions energy: -6.388 where: short stacking energy: -6.388 Base-Backbone interact. energy: -0.018 local terms energy: -16.715726 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.339 flat angles C4'-P-C4' energy: -4.505 flat angles P-C4'-P energy: -3.241 tors. eta vs tors. theta energy: -0.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -19.137220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.137220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.137220 (E_RNA) where: Base-Base interactions energy: -3.777 where: short stacking energy: -3.777 Base-Backbone interact. energy: -0.059 local terms energy: -15.301088 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.765 flat angles P-C4'-P energy: -2.637 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: 10 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -22.543514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.543514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.543514 (E_RNA) where: Base-Base interactions energy: -6.435 where: short stacking energy: -6.435 Base-Backbone interact. energy: -0.000 local terms energy: -16.108052 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -2.147 flat angles P-C4'-P energy: -0.964 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: 9 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -19.296604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.296604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.296604 (E_RNA) where: Base-Base interactions energy: -4.450 where: short stacking energy: -4.450 Base-Backbone interact. energy: -0.140 local terms energy: -14.706289 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.764 flat angles P-C4'-P energy: -2.150 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: 5 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -22.559937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.559937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.559937 (E_RNA) where: Base-Base interactions energy: -4.121 where: short stacking energy: -4.121 Base-Backbone interact. energy: -0.000 local terms energy: -18.438515 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -4.384 flat angles P-C4'-P energy: -3.545 tors. eta vs tors. theta energy: -1.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -23.959979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.959979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.959979 (E_RNA) where: Base-Base interactions energy: -7.667 where: short stacking energy: -7.667 Base-Backbone interact. energy: -0.000 local terms energy: -16.292916 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -3.420 flat angles P-C4'-P energy: -2.775 tors. eta vs tors. theta energy: -1.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -25.927444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.927444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.927444 (E_RNA) where: Base-Base interactions energy: -8.368 where: short stacking energy: -8.368 Base-Backbone interact. energy: -0.000 local terms energy: -17.559588 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.801 flat angles P-C4'-P energy: -3.211 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: 4, replica: 1 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -27.582147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.582147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.582147 (E_RNA) where: Base-Base interactions energy: -7.729 where: short stacking energy: -7.729 Base-Backbone interact. energy: -0.000 local terms energy: -19.853056 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -4.466 flat angles P-C4'-P energy: -2.718 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: 5, replica: 4 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -24.872659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.872659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.872659 (E_RNA) where: Base-Base interactions energy: -7.362 where: short stacking energy: -7.362 Base-Backbone interact. energy: -0.000 local terms energy: -17.510181 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.815 flat angles P-C4'-P energy: -2.724 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: 6, replica: 7 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -24.851883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.851883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.851883 (E_RNA) where: Base-Base interactions energy: -6.363 where: short stacking energy: -6.363 Base-Backbone interact. energy: -0.000 local terms energy: -18.488852 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.803 flat angles P-C4'-P energy: -3.453 tors. eta vs tors. theta energy: -2.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -23.834585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.834585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.834585 (E_RNA) where: Base-Base interactions energy: -7.419 where: short stacking energy: -7.419 Base-Backbone interact. energy: -0.019 local terms energy: -16.397485 where: bonds (distance) C4'-P energy: -3.889 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.937 flat angles P-C4'-P energy: -1.669 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: 8, replica: 6 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -26.970591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.970591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.970591 (E_RNA) where: Base-Base interactions energy: -9.931 where: short stacking energy: -9.931 Base-Backbone interact. energy: -0.000 local terms energy: -17.039463 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -2.868 flat angles P-C4'-P energy: -1.701 tors. eta vs tors. theta energy: -3.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -21.917169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.917169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.917169 (E_RNA) where: Base-Base interactions energy: -5.035 where: short stacking energy: -5.035 Base-Backbone interact. energy: 1.012 local terms energy: -17.893932 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.759 flat angles P-C4'-P energy: -2.469 tors. eta vs tors. theta energy: -2.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -21.194128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.194128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.194128 (E_RNA) where: Base-Base interactions energy: -6.998 where: short stacking energy: -7.047 Base-Backbone interact. energy: -0.000 local terms energy: -14.195953 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -3.994 flat angles P-C4'-P energy: 0.507 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: 5 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -30.438718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.438718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.438718 (E_RNA) where: Base-Base interactions energy: -12.274 where: short stacking energy: -12.274 Base-Backbone interact. energy: -0.000 local terms energy: -18.164986 where: bonds (distance) C4'-P energy: -2.900 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.241 flat angles P-C4'-P energy: -2.802 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: 2, replica: 3 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -27.973804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.973804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.973804 (E_RNA) where: Base-Base interactions energy: -8.106 where: short stacking energy: -8.106 Base-Backbone interact. energy: -0.000 local terms energy: -19.867669 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.872 flat angles P-C4'-P energy: -3.352 tors. eta vs tors. theta energy: -3.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -24.032814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.032814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.032814 (E_RNA) where: Base-Base interactions energy: -8.305 where: short stacking energy: -8.305 Base-Backbone interact. energy: -0.003 local terms energy: -15.725174 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -2.468 flat angles P-C4'-P energy: -2.665 tors. eta vs tors. theta energy: -1.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -23.138902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.138902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.138902 (E_RNA) where: Base-Base interactions energy: -10.453 where: short stacking energy: -10.453 Base-Backbone interact. energy: -0.009 local terms energy: -12.676547 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -3.751 flat angles C4'-P-C4' energy: -4.383 flat angles P-C4'-P energy: -1.796 tors. eta vs tors. theta energy: 0.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -21.104282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.104282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.104282 (E_RNA) where: Base-Base interactions energy: -6.405 where: short stacking energy: -6.405 Base-Backbone interact. energy: -0.000 local terms energy: -14.698330 where: bonds (distance) C4'-P energy: -2.797 bonds (distance) P-C4' energy: -3.039 flat angles C4'-P-C4' energy: -4.148 flat angles P-C4'-P energy: -2.811 tors. eta vs tors. theta energy: -1.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -22.085704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.085704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.085704 (E_RNA) where: Base-Base interactions energy: -7.402 where: short stacking energy: -7.402 Base-Backbone interact. energy: -0.000 local terms energy: -14.683584 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.354 flat angles P-C4'-P energy: -3.256 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: 7, replica: 7 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -24.748686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.748686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.748686 (E_RNA) where: Base-Base interactions energy: -10.616 where: short stacking energy: -10.616 Base-Backbone interact. energy: -0.002 local terms energy: -14.130261 where: bonds (distance) C4'-P energy: -2.681 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -2.867 flat angles P-C4'-P energy: -2.154 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: 8, replica: 9 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -22.775142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.775142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.775142 (E_RNA) where: Base-Base interactions energy: -8.149 where: short stacking energy: -8.149 Base-Backbone interact. energy: -0.000 local terms energy: -14.626491 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -2.480 flat angles C4'-P-C4' energy: -3.572 flat angles P-C4'-P energy: 0.474 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: 9, replica: 6 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -27.950941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.950941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.950941 (E_RNA) where: Base-Base interactions energy: -6.446 where: short stacking energy: -6.446 Base-Backbone interact. energy: -0.000 local terms energy: -21.505212 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.668 flat angles P-C4'-P energy: -3.604 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: 10 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -20.903725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.903725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.903725 (E_RNA) where: Base-Base interactions energy: -6.074 where: short stacking energy: -6.074 Base-Backbone interact. energy: -0.000 local terms energy: -14.829572 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.894 flat angles P-C4'-P energy: -3.274 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: 5 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -31.067087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.067087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.067087 (E_RNA) where: Base-Base interactions energy: -11.254 where: short stacking energy: -11.254 Base-Backbone interact. energy: -0.000 local terms energy: -19.812765 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.641 flat angles P-C4'-P energy: -3.216 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: 3 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -26.388517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.388517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.388517 (E_RNA) where: Base-Base interactions energy: -8.564 where: short stacking energy: -8.564 Base-Backbone interact. energy: -0.002 local terms energy: -17.821868 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -3.066 flat angles C4'-P-C4' energy: -4.113 flat angles P-C4'-P energy: -3.222 tors. eta vs tors. theta energy: -3.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -25.074257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.074257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.074257 (E_RNA) where: Base-Base interactions energy: -7.799 where: short stacking energy: -7.799 Base-Backbone interact. energy: -0.149 local terms energy: -17.126016 where: bonds (distance) C4'-P energy: -4.009 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.740 flat angles P-C4'-P energy: -2.930 tors. eta vs tors. theta energy: -1.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -26.743501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.743501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.743501 (E_RNA) where: Base-Base interactions energy: -9.277 where: short stacking energy: -9.277 Base-Backbone interact. energy: -0.005 local terms energy: -17.461347 where: bonds (distance) C4'-P energy: -4.009 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.054 flat angles P-C4'-P energy: -2.676 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: 5, replica: 8 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -23.359380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.359380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.359380 (E_RNA) where: Base-Base interactions energy: -6.822 where: short stacking energy: -6.822 Base-Backbone interact. energy: -0.000 local terms energy: -16.537368 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.127 flat angles P-C4'-P energy: -2.923 tors. eta vs tors. theta energy: -1.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -27.871834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.871834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.871834 (E_RNA) where: Base-Base interactions energy: -7.860 where: short stacking energy: -7.860 Base-Backbone interact. energy: -0.000 local terms energy: -20.011445 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.050 flat angles P-C4'-P energy: -3.721 tors. eta vs tors. theta energy: -3.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -23.429985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.429985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.429985 (E_RNA) where: Base-Base interactions energy: -6.353 where: short stacking energy: -6.353 Base-Backbone interact. energy: -0.047 local terms energy: -17.029296 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -2.747 flat angles C4'-P-C4' energy: -4.614 flat angles P-C4'-P energy: -3.382 tors. eta vs tors. theta energy: -1.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -19.817590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.817590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.817590 (E_RNA) where: Base-Base interactions energy: -3.160 where: short stacking energy: -3.292 Base-Backbone interact. energy: -0.045 local terms energy: -16.612162 where: bonds (distance) C4'-P energy: -3.326 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.595 flat angles P-C4'-P energy: -3.530 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: 10 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -21.407976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.407976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.407976 (E_RNA) where: Base-Base interactions energy: -7.673 where: short stacking energy: -7.673 Base-Backbone interact. energy: -0.036 local terms energy: -13.699689 where: bonds (distance) C4'-P energy: -2.689 bonds (distance) P-C4' energy: -3.096 flat angles C4'-P-C4' energy: -4.129 flat angles P-C4'-P energy: -1.956 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: 10, replica: 6 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -22.432845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.432845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.432845 (E_RNA) where: Base-Base interactions energy: -3.568 where: short stacking energy: -3.568 Base-Backbone interact. energy: -0.000 local terms energy: -18.864953 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -4.575 flat angles C4'-P-C4' energy: -3.553 flat angles P-C4'-P energy: -3.803 tors. eta vs tors. theta energy: -3.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -29.162243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.162243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.162243 (E_RNA) where: Base-Base interactions energy: -11.123 where: short stacking energy: -11.123 Base-Backbone interact. energy: -0.000 local terms energy: -18.039453 where: bonds (distance) C4'-P energy: -3.450 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.908 flat angles P-C4'-P energy: -2.118 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: 3 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -24.698320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.698320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.698320 (E_RNA) where: Base-Base interactions energy: -7.258 where: short stacking energy: -7.258 Base-Backbone interact. energy: -0.000 local terms energy: -17.440225 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.697 flat angles P-C4'-P energy: -1.974 tors. eta vs tors. theta energy: -2.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -26.469124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.469124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.469124 (E_RNA) where: Base-Base interactions energy: -8.472 where: short stacking energy: -8.472 Base-Backbone interact. energy: -0.000 local terms energy: -17.996733 where: bonds (distance) C4'-P energy: -3.438 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.006 flat angles P-C4'-P energy: -2.855 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: 4, replica: 8 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -23.203532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.203532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.203532 (E_RNA) where: Base-Base interactions energy: -6.009 where: short stacking energy: -6.009 Base-Backbone interact. energy: -0.000 local terms energy: -17.194177 where: bonds (distance) C4'-P energy: -2.556 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.550 flat angles P-C4'-P energy: -3.287 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: 5, replica: 2 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -25.662593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.662593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.662593 (E_RNA) where: Base-Base interactions energy: -9.136 where: short stacking energy: -9.136 Base-Backbone interact. energy: -0.010 local terms energy: -16.516293 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -3.849 flat angles C4'-P-C4' energy: -3.398 flat angles P-C4'-P energy: -3.750 tors. eta vs tors. theta energy: -1.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -23.724431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.724431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.724431 (E_RNA) where: Base-Base interactions energy: -6.251 where: short stacking energy: -6.251 Base-Backbone interact. energy: -0.000 local terms energy: -17.473557 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.518 flat angles P-C4'-P energy: -3.490 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: 1 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -26.062799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.062799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.062799 (E_RNA) where: Base-Base interactions energy: -8.841 where: short stacking energy: -8.841 Base-Backbone interact. energy: -0.000 local terms energy: -17.222173 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -3.583 flat angles P-C4'-P energy: -2.099 tors. eta vs tors. theta energy: -2.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -22.475720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.475720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.475720 (E_RNA) where: Base-Base interactions energy: -4.282 where: short stacking energy: -4.282 Base-Backbone interact. energy: -0.000 local terms energy: -18.193331 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.133 flat angles P-C4'-P energy: -2.040 tors. eta vs tors. theta energy: -3.086 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: 7 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -22.195598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.195598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.195598 (E_RNA) where: Base-Base interactions energy: -5.904 where: short stacking energy: -5.904 Base-Backbone interact. energy: -0.000 local terms energy: -16.292036 where: bonds (distance) C4'-P energy: -2.449 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.964 flat angles P-C4'-P energy: -2.093 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: 6 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -23.317396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.317396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.317396 (E_RNA) where: Base-Base interactions energy: -7.928 where: short stacking energy: -7.928 Base-Backbone interact. energy: -0.000 local terms energy: -15.389728 where: bonds (distance) C4'-P energy: -2.279 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -2.735 flat angles P-C4'-P energy: -3.555 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: 1, replica: 3 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -31.712547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.712547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.712547 (E_RNA) where: Base-Base interactions energy: -11.680 where: short stacking energy: -11.680 Base-Backbone interact. energy: -0.000 local terms energy: -20.032878 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.423 flat angles C4'-P-C4' energy: -4.357 flat angles P-C4'-P energy: -2.733 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: 2, replica: 5 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -24.205624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.205624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.205624 (E_RNA) where: Base-Base interactions energy: -7.004 where: short stacking energy: -7.004 Base-Backbone interact. energy: -0.000 local terms energy: -17.201467 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -4.419 flat angles P-C4'-P energy: -2.802 tors. eta vs tors. theta energy: -2.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -29.538352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.538352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.538352 (E_RNA) where: Base-Base interactions energy: -9.856 where: short stacking energy: -9.856 Base-Backbone interact. energy: -0.000 local terms energy: -19.682391 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.270 flat angles P-C4'-P energy: -2.623 tors. eta vs tors. theta energy: -4.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -24.873463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.873463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.873463 (E_RNA) where: Base-Base interactions energy: -7.451 where: short stacking energy: -7.451 Base-Backbone interact. energy: -0.000 local terms energy: -17.422781 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.298 flat angles P-C4'-P energy: -2.537 tors. eta vs tors. theta energy: -2.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -25.863545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.863545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.863545 (E_RNA) where: Base-Base interactions energy: -7.554 where: short stacking energy: -7.554 Base-Backbone interact. energy: -0.000 local terms energy: -18.309317 where: bonds (distance) C4'-P energy: -4.341 bonds (distance) P-C4' energy: -3.981 flat angles C4'-P-C4' energy: -3.025 flat angles P-C4'-P energy: -3.911 tors. eta vs tors. theta energy: -3.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -22.045314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.045314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.045314 (E_RNA) where: Base-Base interactions energy: -5.654 where: short stacking energy: -5.654 Base-Backbone interact. energy: -0.006 local terms energy: -16.385072 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -1.846 flat angles P-C4'-P energy: -2.648 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: 7, replica: 10 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -25.635569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.635569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.635569 (E_RNA) where: Base-Base interactions energy: -9.196 where: short stacking energy: -9.196 Base-Backbone interact. energy: -0.000 local terms energy: -16.439329 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.722 flat angles P-C4'-P energy: -2.788 tors. eta vs tors. theta energy: -1.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -25.892818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.892818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.892818 (E_RNA) where: Base-Base interactions energy: -6.754 where: short stacking energy: -6.754 Base-Backbone interact. energy: -0.000 local terms energy: -19.138913 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -2.034 flat angles P-C4'-P energy: -3.474 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: 9, replica: 6 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -22.312617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.312617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.312617 (E_RNA) where: Base-Base interactions energy: -4.366 where: short stacking energy: -4.366 Base-Backbone interact. energy: -0.009 local terms energy: -17.937430 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -3.465 flat angles C4'-P-C4' energy: -4.276 flat angles P-C4'-P energy: -3.816 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: 7 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -19.598329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.598329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.598329 (E_RNA) where: Base-Base interactions energy: -4.621 where: short stacking energy: -4.621 Base-Backbone interact. energy: -0.015 local terms energy: -14.962803 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -2.749 flat angles P-C4'-P energy: -2.249 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: 3 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -22.688263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.688263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.688263 (E_RNA) where: Base-Base interactions energy: -4.309 where: short stacking energy: -4.309 Base-Backbone interact. energy: -0.037 local terms energy: -18.342235 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.817 flat angles P-C4'-P energy: -3.716 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: 2, replica: 8 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -29.552832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.552832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.552832 (E_RNA) where: Base-Base interactions energy: -11.644 where: short stacking energy: -11.644 Base-Backbone interact. energy: -0.000 local terms energy: -17.908474 where: bonds (distance) C4'-P energy: -1.890 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.846 flat angles P-C4'-P energy: -3.070 tors. eta vs tors. theta energy: -4.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -25.866876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.866876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.866876 (E_RNA) where: Base-Base interactions energy: -8.118 where: short stacking energy: -8.118 Base-Backbone interact. energy: -0.008 local terms energy: -17.741175 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.434 flat angles P-C4'-P energy: -2.123 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: 4, replica: 9 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -24.296440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.296440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.296440 (E_RNA) where: Base-Base interactions energy: -6.545 where: short stacking energy: -6.545 Base-Backbone interact. energy: -0.039 local terms energy: -17.713152 where: bonds (distance) C4'-P energy: -4.535 bonds (distance) P-C4' energy: -4.311 flat angles C4'-P-C4' energy: -4.642 flat angles P-C4'-P energy: -2.590 tors. eta vs tors. theta energy: -1.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -22.807523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.807523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.807523 (E_RNA) where: Base-Base interactions energy: -6.657 where: short stacking energy: -6.657 Base-Backbone interact. energy: -0.000 local terms energy: -16.150654 where: bonds (distance) C4'-P energy: -3.575 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.796 flat angles P-C4'-P energy: -2.889 tors. eta vs tors. theta energy: -0.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -22.535437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.535437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.535437 (E_RNA) where: Base-Base interactions energy: -11.629 where: short stacking energy: -11.629 Base-Backbone interact. energy: -0.000 local terms energy: -10.906684 where: bonds (distance) C4'-P energy: -2.598 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -1.272 flat angles P-C4'-P energy: -1.020 tors. eta vs tors. theta energy: -1.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -23.981681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.981681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.981681 (E_RNA) where: Base-Base interactions energy: -6.527 where: short stacking energy: -6.527 Base-Backbone interact. energy: -0.191 local terms energy: -17.263366 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.080 flat angles P-C4'-P energy: -3.284 tors. eta vs tors. theta energy: -0.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -21.007836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.007836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.007836 (E_RNA) where: Base-Base interactions energy: -3.640 where: short stacking energy: -3.640 Base-Backbone interact. energy: -0.000 local terms energy: -17.367789 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.242 flat angles P-C4'-P energy: -3.071 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: 9, replica: 1 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -23.429533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.429533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.429533 (E_RNA) where: Base-Base interactions energy: -7.225 where: short stacking energy: -7.225 Base-Backbone interact. energy: -0.000 local terms energy: -16.204406 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -3.297 flat angles C4'-P-C4' energy: -4.633 flat angles P-C4'-P energy: -1.991 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: 10, replica: 7 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -24.060071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.060071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.060071 (E_RNA) where: Base-Base interactions energy: -6.706 where: short stacking energy: -6.706 Base-Backbone interact. energy: -0.000 local terms energy: -17.354270 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -2.787 flat angles P-C4'-P energy: -2.414 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: 8 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -27.588032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.588032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.588032 (E_RNA) where: Base-Base interactions energy: -7.754 where: short stacking energy: -7.754 Base-Backbone interact. energy: -0.034 local terms energy: -19.799884 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.082 flat angles P-C4'-P energy: -3.229 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: 438 Temperature: 0.950000 Total energy: -29.338811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.338811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.338811 (E_RNA) where: Base-Base interactions energy: -10.913 where: short stacking energy: -10.913 Base-Backbone interact. energy: -0.000 local terms energy: -18.425679 where: bonds (distance) C4'-P energy: -3.301 bonds (distance) P-C4' energy: -4.420 flat angles C4'-P-C4' energy: -3.680 flat angles P-C4'-P energy: -3.389 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: 3, replica: 9 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -24.212937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.212937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.212937 (E_RNA) where: Base-Base interactions energy: -7.386 where: short stacking energy: -7.386 Base-Backbone interact. energy: -0.000 local terms energy: -16.826735 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.345 flat angles C4'-P-C4' energy: -4.123 flat angles P-C4'-P energy: -2.865 tors. eta vs tors. theta energy: -1.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -27.428804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.428804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.428804 (E_RNA) where: Base-Base interactions energy: -7.309 where: short stacking energy: -7.309 Base-Backbone interact. energy: -0.000 local terms energy: -20.120176 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.123 flat angles P-C4'-P energy: -2.459 tors. eta vs tors. theta energy: -3.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -25.440198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.440198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.440198 (E_RNA) where: Base-Base interactions energy: -10.980 where: short stacking energy: -10.980 Base-Backbone interact. energy: -0.001 local terms energy: -14.459039 where: bonds (distance) C4'-P energy: -2.983 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -2.911 flat angles P-C4'-P energy: -3.851 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: 6, replica: 4 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -21.598904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.598904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.598904 (E_RNA) where: Base-Base interactions energy: -6.935 where: short stacking energy: -6.935 Base-Backbone interact. energy: -0.000 local terms energy: -14.663902 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.503 flat angles P-C4'-P energy: -1.128 tors. eta vs tors. theta energy: -1.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -23.398339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.398339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.398339 (E_RNA) where: Base-Base interactions energy: -5.789 where: short stacking energy: -5.789 Base-Backbone interact. energy: -0.000 local terms energy: -17.609452 where: bonds (distance) C4'-P energy: -1.977 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.229 flat angles P-C4'-P energy: -3.739 tors. eta vs tors. theta energy: -4.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -22.472242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.472242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.472242 (E_RNA) where: Base-Base interactions energy: -7.128 where: short stacking energy: -7.128 Base-Backbone interact. energy: -0.025 local terms energy: -15.319330 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.095 flat angles P-C4'-P energy: -2.946 tors. eta vs tors. theta energy: -0.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -21.046005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.046005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.046005 (E_RNA) where: Base-Base interactions energy: -6.999 where: short stacking energy: -6.999 Base-Backbone interact. energy: -0.000 local terms energy: -14.046683 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -1.825 flat angles P-C4'-P energy: -1.653 tors. eta vs tors. theta energy: -1.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -23.344983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.344983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.344983 (E_RNA) where: Base-Base interactions energy: -3.488 where: short stacking energy: -3.488 Base-Backbone interact. energy: -0.000 local terms energy: -19.857234 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.864 flat angles P-C4'-P energy: -3.617 tors. eta vs tors. theta energy: -3.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -28.448842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.448842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.448842 (E_RNA) where: Base-Base interactions energy: -10.454 where: short stacking energy: -10.454 Base-Backbone interact. energy: -0.000 local terms energy: -17.994454 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.647 flat angles P-C4'-P energy: -2.037 tors. eta vs tors. theta energy: -2.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -25.483726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.483726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.483726 (E_RNA) where: Base-Base interactions energy: -7.925 where: short stacking energy: -7.925 Base-Backbone interact. energy: -0.000 local terms energy: -17.558625 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.441 flat angles C4'-P-C4' energy: -3.492 flat angles P-C4'-P energy: -3.851 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: 3, replica: 3 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -27.132777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.132777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.132777 (E_RNA) where: Base-Base interactions energy: -11.559 where: short stacking energy: -11.559 Base-Backbone interact. energy: -0.004 local terms energy: -15.569800 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -3.984 flat angles C4'-P-C4' energy: -1.479 flat angles P-C4'-P energy: -2.541 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: 10 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -23.090555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.090555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.090555 (E_RNA) where: Base-Base interactions energy: -3.989 where: short stacking energy: -3.989 Base-Backbone interact. energy: -0.057 local terms energy: -19.044016 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.506 flat angles P-C4'-P energy: -3.098 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: 5, replica: 5 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -23.899599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.899599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.899599 (E_RNA) where: Base-Base interactions energy: -5.873 where: short stacking energy: -5.873 Base-Backbone interact. energy: -0.000 local terms energy: -18.026770 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -4.395 flat angles C4'-P-C4' energy: -4.746 flat angles P-C4'-P energy: -2.151 tors. eta vs tors. theta energy: -2.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -25.557610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.557610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.557610 (E_RNA) where: Base-Base interactions energy: -8.413 where: short stacking energy: -8.413 Base-Backbone interact. energy: -0.000 local terms energy: -17.144352 where: bonds (distance) C4'-P energy: -3.045 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -4.721 flat angles P-C4'-P energy: -1.692 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: 7, replica: 4 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -21.564040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.564040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.564040 (E_RNA) where: Base-Base interactions energy: -9.635 where: short stacking energy: -9.635 Base-Backbone interact. energy: -0.000 local terms energy: -11.929304 where: bonds (distance) C4'-P energy: -2.573 bonds (distance) P-C4' energy: -3.265 flat angles C4'-P-C4' energy: -3.940 flat angles P-C4'-P energy: -0.358 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: 8, replica: 1 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -22.375145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.375145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.375145 (E_RNA) where: Base-Base interactions energy: -6.050 where: short stacking energy: -6.050 Base-Backbone interact. energy: -0.000 local terms energy: -16.325547 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -3.228 flat angles P-C4'-P energy: -0.396 tors. eta vs tors. theta energy: -3.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -22.911501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.911501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.911501 (E_RNA) where: Base-Base interactions energy: -5.350 where: short stacking energy: -5.350 Base-Backbone interact. energy: -0.000 local terms energy: -17.561530 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.468 flat angles P-C4'-P energy: -2.639 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: 10, replica: 7 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -18.677778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.677778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.677778 (E_RNA) where: Base-Base interactions energy: -3.598 where: short stacking energy: -3.598 Base-Backbone interact. energy: -0.100 local terms energy: -14.979447 where: bonds (distance) C4'-P energy: -2.573 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -4.750 flat angles P-C4'-P energy: -2.688 tors. eta vs tors. theta energy: 0.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -25.387604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.387604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.387604 (E_RNA) where: Base-Base interactions energy: -7.611 where: short stacking energy: -7.611 Base-Backbone interact. energy: -0.098 local terms energy: -17.678067 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -4.575 flat angles C4'-P-C4' energy: -4.176 flat angles P-C4'-P energy: -3.311 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: 2, replica: 8 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -29.288797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.288797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.288797 (E_RNA) where: Base-Base interactions energy: -8.372 where: short stacking energy: -8.372 Base-Backbone interact. energy: -0.000 local terms energy: -20.916943 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -3.602 flat angles P-C4'-P energy: -3.326 tors. eta vs tors. theta energy: -5.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -27.263349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.263349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.263349 (E_RNA) where: Base-Base interactions energy: -8.369 where: short stacking energy: -8.369 Base-Backbone interact. energy: -0.000 local terms energy: -18.894236 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.490 flat angles P-C4'-P energy: -2.802 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: 4, replica: 3 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -30.328127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.328127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.328127 (E_RNA) where: Base-Base interactions energy: -10.706 where: short stacking energy: -10.856 Base-Backbone interact. energy: -0.000 local terms energy: -19.622143 where: bonds (distance) C4'-P energy: -4.535 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.732 flat angles P-C4'-P energy: -2.580 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: 5, replica: 6 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -26.860133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.860133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.860133 (E_RNA) where: Base-Base interactions energy: -7.693 where: short stacking energy: -7.693 Base-Backbone interact. energy: -0.000 local terms energy: -19.166856 where: bonds (distance) C4'-P energy: -2.656 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.534 flat angles P-C4'-P energy: -3.241 tors. eta vs tors. theta energy: -3.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -24.249518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.249518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.249518 (E_RNA) where: Base-Base interactions energy: -7.444 where: short stacking energy: -7.444 Base-Backbone interact. energy: -0.156 local terms energy: -16.649899 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.189 flat angles P-C4'-P energy: -2.675 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: 7, replica: 1 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -21.468571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.468571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.468571 (E_RNA) where: Base-Base interactions energy: -7.629 where: short stacking energy: -7.629 Base-Backbone interact. energy: -0.001 local terms energy: -13.838990 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -2.059 flat angles P-C4'-P energy: -2.386 tors. eta vs tors. theta energy: -0.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -25.408153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.408153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.408153 (E_RNA) where: Base-Base interactions energy: -5.931 where: short stacking energy: -5.931 Base-Backbone interact. energy: -0.000 local terms energy: -19.477539 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -4.012 flat angles P-C4'-P energy: -3.452 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: 9, replica: 7 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -23.386330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.386330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.386330 (E_RNA) where: Base-Base interactions energy: -8.051 where: short stacking energy: -8.051 Base-Backbone interact. energy: -0.002 local terms energy: -15.332987 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -3.885 flat angles C4'-P-C4' energy: -4.613 flat angles P-C4'-P energy: -2.229 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: 2 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -21.280814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.280814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.280814 (E_RNA) where: Base-Base interactions energy: -5.403 where: short stacking energy: -5.403 Base-Backbone interact. energy: -0.000 local terms energy: -15.878032 where: bonds (distance) C4'-P energy: -2.415 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.212 flat angles P-C4'-P energy: -1.309 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: 1, replica: 9 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -31.180718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.180718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.180718 (E_RNA) where: Base-Base interactions energy: -10.394 where: short stacking energy: -10.394 Base-Backbone interact. energy: -0.000 local terms energy: -20.786682 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.360 flat angles P-C4'-P energy: -3.680 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: 10 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -24.685563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.685563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.685563 (E_RNA) where: Base-Base interactions energy: -4.110 where: short stacking energy: -4.110 Base-Backbone interact. energy: -0.098 local terms energy: -20.477892 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.946 flat angles P-C4'-P energy: -3.854 tors. eta vs tors. theta energy: -2.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -26.948481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.948481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.948481 (E_RNA) where: Base-Base interactions energy: -7.623 where: short stacking energy: -7.623 Base-Backbone interact. energy: -0.022 local terms energy: -19.303876 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.503 flat angles P-C4'-P energy: -3.343 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: 4, replica: 3 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -25.577416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.577416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.577416 (E_RNA) where: Base-Base interactions energy: -6.679 where: short stacking energy: -6.679 Base-Backbone interact. energy: -0.000 local terms energy: -18.898067 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.449 flat angles P-C4'-P energy: -2.171 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: 5, replica: 6 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -22.813061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.813061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.813061 (E_RNA) where: Base-Base interactions energy: -6.192 where: short stacking energy: -6.192 Base-Backbone interact. energy: 0.908 local terms energy: -17.529051 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.903 flat angles P-C4'-P energy: -3.118 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: 6, replica: 1 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -25.752033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.752033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.752033 (E_RNA) where: Base-Base interactions energy: -8.179 where: short stacking energy: -8.179 Base-Backbone interact. energy: -0.004 local terms energy: -17.569088 where: bonds (distance) C4'-P energy: -3.458 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.801 flat angles P-C4'-P energy: -2.723 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: 7, replica: 5 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -22.281440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.281440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.281440 (E_RNA) where: Base-Base interactions energy: -5.600 where: short stacking energy: -5.600 Base-Backbone interact. energy: -0.000 local terms energy: -16.681886 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.625 flat angles P-C4'-P energy: -3.434 tors. eta vs tors. theta energy: -0.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -22.991389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.991389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.991389 (E_RNA) where: Base-Base interactions energy: -7.961 where: short stacking energy: -7.961 Base-Backbone interact. energy: -0.000 local terms energy: -15.030110 where: bonds (distance) C4'-P energy: -3.645 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -2.703 flat angles P-C4'-P energy: -3.005 tors. eta vs tors. theta energy: -0.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -24.030870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.030870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.030870 (E_RNA) where: Base-Base interactions energy: -6.180 where: short stacking energy: -6.180 Base-Backbone interact. energy: -0.000 local terms energy: -17.850420 where: bonds (distance) C4'-P energy: -2.564 bonds (distance) P-C4' energy: -3.987 flat angles C4'-P-C4' energy: -4.028 flat angles P-C4'-P energy: -2.834 tors. eta vs tors. theta energy: -4.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -22.783991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.783991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.783991 (E_RNA) where: Base-Base interactions energy: -5.927 where: short stacking energy: -5.927 Base-Backbone interact. energy: -0.000 local terms energy: -16.856573 where: bonds (distance) C4'-P energy: -3.716 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.119 flat angles P-C4'-P energy: -2.700 tors. eta vs tors. theta energy: -1.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -23.715630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.715630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.715630 (E_RNA) where: Base-Base interactions energy: -6.998 where: short stacking energy: -6.998 Base-Backbone interact. energy: -0.000 local terms energy: -16.717178 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.472 flat angles P-C4'-P energy: -3.139 tors. eta vs tors. theta energy: -0.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -26.051796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.051796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.051796 (E_RNA) where: Base-Base interactions energy: -7.260 where: short stacking energy: -7.260 Base-Backbone interact. energy: -0.000 local terms energy: -18.792208 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.799 flat angles P-C4'-P energy: -2.923 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: 3, replica: 3 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -27.377436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.377436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.377436 (E_RNA) where: Base-Base interactions energy: -7.757 where: short stacking energy: -7.757 Base-Backbone interact. energy: -0.000 local terms energy: -19.620242 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -4.193 flat angles P-C4'-P energy: -2.823 tors. eta vs tors. theta energy: -3.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -27.132594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.132594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.132594 (E_RNA) where: Base-Base interactions energy: -10.199 where: short stacking energy: -10.199 Base-Backbone interact. energy: -0.000 local terms energy: -16.933889 where: bonds (distance) C4'-P energy: -3.008 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.176 flat angles P-C4'-P energy: -2.643 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: 5, replica: 1 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -25.210139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.210139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.210139 (E_RNA) where: Base-Base interactions energy: -8.277 where: short stacking energy: -8.277 Base-Backbone interact. energy: -0.000 local terms energy: -16.933515 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -1.494 flat angles P-C4'-P energy: -2.186 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: 6, replica: 6 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -20.276139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.276139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.276139 (E_RNA) where: Base-Base interactions energy: -3.491 where: short stacking energy: -3.491 Base-Backbone interact. energy: -0.000 local terms energy: -16.784977 where: bonds (distance) C4'-P energy: -2.954 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.867 flat angles P-C4'-P energy: -3.727 tors. eta vs tors. theta energy: -1.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -21.986457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.986457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.986457 (E_RNA) where: Base-Base interactions energy: -6.716 where: short stacking energy: -6.716 Base-Backbone interact. energy: -0.020 local terms energy: -15.250853 where: bonds (distance) C4'-P energy: -3.673 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -1.574 flat angles P-C4'-P energy: -2.276 tors. eta vs tors. theta energy: -2.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -21.666841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.666841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.666841 (E_RNA) where: Base-Base interactions energy: -5.553 where: short stacking energy: -5.553 Base-Backbone interact. energy: -0.011 local terms energy: -16.103330 where: bonds (distance) C4'-P energy: -3.326 bonds (distance) P-C4' energy: -4.051 flat angles C4'-P-C4' energy: -4.746 flat angles P-C4'-P energy: -2.421 tors. eta vs tors. theta energy: -1.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -20.802423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.802423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.802423 (E_RNA) where: Base-Base interactions energy: -4.563 where: short stacking energy: -4.563 Base-Backbone interact. energy: -0.061 local terms energy: -16.177710 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.509 flat angles P-C4'-P energy: -3.325 tors. eta vs tors. theta energy: 0.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -19.903374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.903374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.903374 (E_RNA) where: Base-Base interactions energy: -4.676 where: short stacking energy: -4.676 Base-Backbone interact. energy: -0.000 local terms energy: -15.227084 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -2.676 flat angles P-C4'-P energy: -1.299 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: 1, replica: 10 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -27.813849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.813849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.813849 (E_RNA) where: Base-Base interactions energy: -10.412 where: short stacking energy: -10.412 Base-Backbone interact. energy: -0.001 local terms energy: -17.401316 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.651 flat angles P-C4'-P energy: -2.675 tors. eta vs tors. theta energy: -1.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -28.446679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.446679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.446679 (E_RNA) where: Base-Base interactions energy: -7.589 where: short stacking energy: -7.589 Base-Backbone interact. energy: -0.000 local terms energy: -20.857815 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.140 flat angles P-C4'-P energy: -3.995 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: 3, replica: 9 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -21.802050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.802050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.802050 (E_RNA) where: Base-Base interactions energy: -7.545 where: short stacking energy: -7.545 Base-Backbone interact. energy: -0.000 local terms energy: -14.256953 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.425 flat angles P-C4'-P energy: -0.380 tors. eta vs tors. theta energy: -0.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -23.061099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.061099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.061099 (E_RNA) where: Base-Base interactions energy: -6.762 where: short stacking energy: -6.762 Base-Backbone interact. energy: -0.022 local terms energy: -16.277636 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.044 flat angles C4'-P-C4' energy: -3.809 flat angles P-C4'-P energy: -3.066 tors. eta vs tors. theta energy: -1.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -25.900759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.900759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.900759 (E_RNA) where: Base-Base interactions energy: -7.755 where: short stacking energy: -7.755 Base-Backbone interact. energy: -0.000 local terms energy: -18.145587 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.210 flat angles P-C4'-P energy: -3.409 tors. eta vs tors. theta energy: -1.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -20.811067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.811067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.811067 (E_RNA) where: Base-Base interactions energy: -7.195 where: short stacking energy: -4.227 Base-Backbone interact. energy: -0.006 local terms energy: -13.609865 where: bonds (distance) C4'-P energy: -2.510 bonds (distance) P-C4' energy: -3.128 flat angles C4'-P-C4' energy: -3.501 flat angles P-C4'-P energy: -3.758 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: 7, replica: 6 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -24.315835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.315835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.315835 (E_RNA) where: Base-Base interactions energy: -6.996 where: short stacking energy: -6.996 Base-Backbone interact. energy: -0.000 local terms energy: -17.319587 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.569 flat angles C4'-P-C4' energy: -4.152 flat angles P-C4'-P energy: -2.972 tors. eta vs tors. theta energy: -1.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -23.363222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.363222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.363222 (E_RNA) where: Base-Base interactions energy: -7.330 where: short stacking energy: -7.330 Base-Backbone interact. energy: -0.051 local terms energy: -15.982428 where: bonds (distance) C4'-P energy: -2.163 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.028 flat angles P-C4'-P energy: -3.632 tors. eta vs tors. theta energy: -1.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -21.758576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.758576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.758576 (E_RNA) where: Base-Base interactions energy: -4.051 where: short stacking energy: -4.051 Base-Backbone interact. energy: -0.006 local terms energy: -17.701721 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.502 flat angles P-C4'-P energy: -1.774 tors. eta vs tors. theta energy: -2.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -27.073499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.073499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.073499 (E_RNA) where: Base-Base interactions energy: -10.484 where: short stacking energy: -10.484 Base-Backbone interact. energy: -0.000 local terms energy: -16.589309 where: bonds (distance) C4'-P energy: -2.813 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -4.034 flat angles P-C4'-P energy: -2.811 tors. eta vs tors. theta energy: -2.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -26.590589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.590589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.590589 (E_RNA) where: Base-Base interactions energy: -10.786 where: short stacking energy: -10.786 Base-Backbone interact. energy: -0.000 local terms energy: -15.804426 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.735 flat angles P-C4'-P energy: -1.795 tors. eta vs tors. theta energy: -1.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -28.807275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.807275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.807275 (E_RNA) where: Base-Base interactions energy: -10.693 where: short stacking energy: -10.693 Base-Backbone interact. energy: -0.008 local terms energy: -18.106053 where: bonds (distance) C4'-P energy: -3.008 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -4.064 flat angles P-C4'-P energy: -3.521 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: 9 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -27.617510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.617510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.617510 (E_RNA) where: Base-Base interactions energy: -8.277 where: short stacking energy: -8.277 Base-Backbone interact. energy: -0.000 local terms energy: -19.340418 where: bonds (distance) C4'-P energy: -3.947 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.358 flat angles P-C4'-P energy: -2.881 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: 4, replica: 1 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -25.081148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.081148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.081148 (E_RNA) where: Base-Base interactions energy: -8.127 where: short stacking energy: -8.127 Base-Backbone interact. energy: -0.000 local terms energy: -16.954246 where: bonds (distance) C4'-P energy: -1.492 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.241 flat angles P-C4'-P energy: -2.932 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: 5, replica: 7 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -26.703943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.703943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.703943 (E_RNA) where: Base-Base interactions energy: -7.393 where: short stacking energy: -7.393 Base-Backbone interact. energy: -0.000 local terms energy: -19.310774 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.648 flat angles P-C4'-P energy: -1.320 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: 8 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -25.427966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.427966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.427966 (E_RNA) where: Base-Base interactions energy: -8.752 where: short stacking energy: -8.752 Base-Backbone interact. energy: -0.000 local terms energy: -16.675949 where: bonds (distance) C4'-P energy: -3.716 bonds (distance) P-C4' energy: -2.839 flat angles C4'-P-C4' energy: -4.746 flat angles P-C4'-P energy: -2.087 tors. eta vs tors. theta energy: -3.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -25.790234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.790234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.790234 (E_RNA) where: Base-Base interactions energy: -7.800 where: short stacking energy: -7.800 Base-Backbone interact. energy: -0.001 local terms energy: -17.989213 where: bonds (distance) C4'-P energy: -0.209 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.659 flat angles P-C4'-P energy: -2.810 tors. eta vs tors. theta energy: -4.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -21.765678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.765678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.765678 (E_RNA) where: Base-Base interactions energy: -7.285 where: short stacking energy: -7.285 Base-Backbone interact. energy: -0.000 local terms energy: -14.480999 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -3.316 flat angles P-C4'-P energy: -2.867 tors. eta vs tors. theta energy: 0.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -18.851045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.851045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.851045 (E_RNA) where: Base-Base interactions energy: -3.564 where: short stacking energy: -3.564 Base-Backbone interact. energy: -0.000 local terms energy: -15.287203 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -2.991 flat angles P-C4'-P energy: -3.758 tors. eta vs tors. theta energy: 0.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -20.951640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.951640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.951640 (E_RNA) where: Base-Base interactions energy: -6.199 where: short stacking energy: -6.199 Base-Backbone interact. energy: -0.000 local terms energy: -14.752414 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -4.177 flat angles P-C4'-P energy: -2.428 tors. eta vs tors. theta energy: 0.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -30.274838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.274838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.274838 (E_RNA) where: Base-Base interactions energy: -10.977 where: short stacking energy: -10.977 Base-Backbone interact. energy: -0.000 local terms energy: -19.297971 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.770 flat angles P-C4'-P energy: -3.406 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: 2, replica: 9 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -23.904593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.904593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.904593 (E_RNA) where: Base-Base interactions energy: -3.984 where: short stacking energy: -3.984 Base-Backbone interact. energy: -0.003 local terms energy: -19.917302 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.644 flat angles P-C4'-P energy: -2.250 tors. eta vs tors. theta energy: -3.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -28.284954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.284954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.284954 (E_RNA) where: Base-Base interactions energy: -10.138 where: short stacking energy: -10.138 Base-Backbone interact. energy: -0.003 local terms energy: -18.143796 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -3.008 flat angles P-C4'-P energy: -3.388 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: 4, replica: 7 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -26.516951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.516951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.516951 (E_RNA) where: Base-Base interactions energy: -9.715 where: short stacking energy: -9.715 Base-Backbone interact. energy: -0.084 local terms energy: -16.718277 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -1.772 flat angles P-C4'-P energy: -2.859 tors. eta vs tors. theta energy: -2.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -23.717653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.717653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.717653 (E_RNA) where: Base-Base interactions energy: -7.127 where: short stacking energy: -7.127 Base-Backbone interact. energy: -0.000 local terms energy: -16.590621 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -4.785 flat angles P-C4'-P energy: -2.649 tors. eta vs tors. theta energy: -1.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -23.728307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.728307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.728307 (E_RNA) where: Base-Base interactions energy: -5.163 where: short stacking energy: -5.163 Base-Backbone interact. energy: -0.001 local terms energy: -18.564397 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.047 flat angles P-C4'-P energy: -2.338 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: 7, replica: 8 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -22.293647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.293647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.293647 (E_RNA) where: Base-Base interactions energy: -7.643 where: short stacking energy: -7.643 Base-Backbone interact. energy: -0.002 local terms energy: -14.649132 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -3.465 flat angles P-C4'-P energy: -2.025 tors. eta vs tors. theta energy: -0.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -23.265593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.265593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.265593 (E_RNA) where: Base-Base interactions energy: -6.337 where: short stacking energy: -6.337 Base-Backbone interact. energy: -0.000 local terms energy: -16.928977 where: bonds (distance) C4'-P energy: -3.645 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.396 flat angles P-C4'-P energy: -2.072 tors. eta vs tors. theta energy: -1.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -23.641532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.641532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.641532 (E_RNA) where: Base-Base interactions energy: -8.223 where: short stacking energy: -8.223 Base-Backbone interact. energy: -0.007 local terms energy: -15.411462 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -4.580 flat angles P-C4'-P energy: -2.487 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: 10, replica: 5 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -19.732039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.732039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.732039 (E_RNA) where: Base-Base interactions energy: -2.912 where: short stacking energy: -2.912 Base-Backbone interact. energy: -0.000 local terms energy: -16.820033 where: bonds (distance) C4'-P energy: -4.311 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.799 flat angles P-C4'-P energy: -2.585 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: 446 Temperature: 0.900000 Total energy: -26.628843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.628843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.628843 (E_RNA) where: Base-Base interactions energy: -11.396 where: short stacking energy: -11.396 Base-Backbone interact. energy: -0.160 local terms energy: -15.072302 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -3.953 flat angles P-C4'-P energy: -0.513 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: 2, replica: 9 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -25.962868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.962868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.962868 (E_RNA) where: Base-Base interactions energy: -7.150 where: short stacking energy: -7.150 Base-Backbone interact. energy: -0.025 local terms energy: -18.787939 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.079 flat angles P-C4'-P energy: -3.795 tors. eta vs tors. theta energy: -1.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -25.148910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.148910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.148910 (E_RNA) where: Base-Base interactions energy: -7.402 where: short stacking energy: -7.402 Base-Backbone interact. energy: -0.038 local terms energy: -17.709221 where: bonds (distance) C4'-P energy: -3.513 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.525 flat angles P-C4'-P energy: -3.672 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: 10 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -25.887259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.887259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.887259 (E_RNA) where: Base-Base interactions energy: -7.961 where: short stacking energy: -7.961 Base-Backbone interact. energy: -0.000 local terms energy: -17.926004 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.968 flat angles P-C4'-P energy: -3.708 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: 2 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -28.769254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.769254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.769254 (E_RNA) where: Base-Base interactions energy: -10.427 where: short stacking energy: -10.427 Base-Backbone interact. energy: -0.610 local terms energy: -17.732611 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -2.877 flat angles C4'-P-C4' energy: -4.623 flat angles P-C4'-P energy: -3.688 tors. eta vs tors. theta energy: -2.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -26.151315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.151315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.151315 (E_RNA) where: Base-Base interactions energy: -9.645 where: short stacking energy: -9.645 Base-Backbone interact. energy: -0.000 local terms energy: -16.506441 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.205 flat angles C4'-P-C4' energy: -2.971 flat angles P-C4'-P energy: -3.750 tors. eta vs tors. theta energy: -1.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -25.341126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.341126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.341126 (E_RNA) where: Base-Base interactions energy: -7.552 where: short stacking energy: -7.552 Base-Backbone interact. energy: -0.000 local terms energy: -17.788747 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.930 flat angles P-C4'-P energy: -0.390 tors. eta vs tors. theta energy: -3.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -21.016589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.016589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.016589 (E_RNA) where: Base-Base interactions energy: -1.756 where: short stacking energy: -1.756 Base-Backbone interact. energy: -0.000 local terms energy: -19.261050 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.736 flat angles P-C4'-P energy: -3.452 tors. eta vs tors. theta energy: -2.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -20.553023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.553023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.553023 (E_RNA) where: Base-Base interactions energy: -4.003 where: short stacking energy: -4.003 Base-Backbone interact. energy: -0.002 local terms energy: -16.547071 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -1.813 flat angles P-C4'-P energy: -3.212 tors. eta vs tors. theta energy: -1.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -18.712102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.712102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.712102 (E_RNA) where: Base-Base interactions energy: -2.754 where: short stacking energy: -2.754 Base-Backbone interact. energy: -0.054 local terms energy: -15.904493 where: bonds (distance) C4'-P energy: -3.433 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.695 flat angles P-C4'-P energy: -2.789 tors. eta vs tors. theta energy: -0.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -31.071464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.071464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.071464 (E_RNA) where: Base-Base interactions energy: -8.749 where: short stacking energy: -8.749 Base-Backbone interact. energy: -0.000 local terms energy: -22.322732 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.310 flat angles P-C4'-P energy: -3.689 tors. eta vs tors. theta energy: -5.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -29.850123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.850123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.850123 (E_RNA) where: Base-Base interactions energy: -11.133 where: short stacking energy: -11.133 Base-Backbone interact. energy: -0.017 local terms energy: -18.700705 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -4.491 flat angles P-C4'-P energy: -2.648 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: 9 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -27.965843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.965843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.965843 (E_RNA) where: Base-Base interactions energy: -11.700 where: short stacking energy: -11.700 Base-Backbone interact. energy: -0.000 local terms energy: -16.266054 where: bonds (distance) C4'-P energy: -3.479 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.203 flat angles P-C4'-P energy: -1.840 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: 2 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -23.830219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.830219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.830219 (E_RNA) where: Base-Base interactions energy: -7.420 where: short stacking energy: -7.420 Base-Backbone interact. energy: -0.038 local terms energy: -16.371986 where: bonds (distance) C4'-P energy: -3.947 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.731 flat angles P-C4'-P energy: -3.586 tors. eta vs tors. theta energy: 1.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -24.351833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.351833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.351833 (E_RNA) where: Base-Base interactions energy: -7.604 where: short stacking energy: -7.604 Base-Backbone interact. energy: -0.002 local terms energy: -16.745408 where: bonds (distance) C4'-P energy: -1.600 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.024 flat angles P-C4'-P energy: -3.564 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: 4 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -22.630358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.630358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.630358 (E_RNA) where: Base-Base interactions energy: -7.802 where: short stacking energy: -8.032 Base-Backbone interact. energy: -0.001 local terms energy: -14.827031 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -4.413 flat angles C4'-P-C4' energy: -3.002 flat angles P-C4'-P energy: -2.645 tors. eta vs tors. theta energy: -0.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -22.518913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.518913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.518913 (E_RNA) where: Base-Base interactions energy: -7.236 where: short stacking energy: -7.236 Base-Backbone interact. energy: -0.000 local terms energy: -15.282610 where: bonds (distance) C4'-P energy: -4.063 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -2.993 flat angles P-C4'-P energy: -2.737 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: 8, replica: 5 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -22.680258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.680258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.680258 (E_RNA) where: Base-Base interactions energy: -5.196 where: short stacking energy: -5.196 Base-Backbone interact. energy: -0.000 local terms energy: -17.483978 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -3.984 flat angles C4'-P-C4' energy: -3.886 flat angles P-C4'-P energy: -2.350 tors. eta vs tors. theta energy: -2.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -25.241582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.241582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.241582 (E_RNA) where: Base-Base interactions energy: -9.559 where: short stacking energy: -9.559 Base-Backbone interact. energy: -0.000 local terms energy: -15.682575 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -4.569 flat angles C4'-P-C4' energy: -3.975 flat angles P-C4'-P energy: -3.108 tors. eta vs tors. theta energy: -0.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -20.114371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.114371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.114371 (E_RNA) where: Base-Base interactions energy: -6.474 where: short stacking energy: -6.474 Base-Backbone interact. energy: -0.068 local terms energy: -13.572235 where: bonds (distance) C4'-P energy: -3.036 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -1.322 flat angles P-C4'-P energy: -2.139 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: 1, replica: 7 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -26.366527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.366527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.366527 (E_RNA) where: Base-Base interactions energy: -9.034 where: short stacking energy: -9.034 Base-Backbone interact. energy: -0.000 local terms energy: -17.332516 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -3.726 flat angles C4'-P-C4' energy: -4.123 flat angles P-C4'-P energy: -2.568 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: 2, replica: 3 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -32.939839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.939839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.939839 (E_RNA) where: Base-Base interactions energy: -11.996 where: short stacking energy: -11.996 Base-Backbone interact. energy: -0.000 local terms energy: -20.943568 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.514 flat angles P-C4'-P energy: -2.667 tors. eta vs tors. theta energy: -5.121 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: 2 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -27.831705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.831705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.831705 (E_RNA) where: Base-Base interactions energy: -11.288 where: short stacking energy: -11.288 Base-Backbone interact. energy: -0.000 local terms energy: -16.543841 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -3.921 flat angles P-C4'-P energy: -1.576 tors. eta vs tors. theta energy: -2.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -25.982276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.982276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.982276 (E_RNA) where: Base-Base interactions energy: -8.910 where: short stacking energy: -8.910 Base-Backbone interact. energy: -0.052 local terms energy: -17.019745 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -2.685 flat angles P-C4'-P energy: -2.489 tors. eta vs tors. theta energy: -2.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -26.135925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.135925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.135925 (E_RNA) where: Base-Base interactions energy: -11.362 where: short stacking energy: -11.362 Base-Backbone interact. energy: -0.000 local terms energy: -14.773243 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -3.174 flat angles C4'-P-C4' energy: -4.818 flat angles P-C4'-P energy: -1.027 tors. eta vs tors. theta energy: -1.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -23.215223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.215223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.215223 (E_RNA) where: Base-Base interactions energy: -5.250 where: short stacking energy: -5.250 Base-Backbone interact. energy: -0.000 local terms energy: -17.965021 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.137 flat angles P-C4'-P energy: -2.502 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: 7, replica: 5 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -22.814772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.814772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.814772 (E_RNA) where: Base-Base interactions energy: -6.060 where: short stacking energy: -6.060 Base-Backbone interact. energy: -0.029 local terms energy: -16.726209 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.311 flat angles P-C4'-P energy: -2.503 tors. eta vs tors. theta energy: -1.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -24.802236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.802236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.802236 (E_RNA) where: Base-Base interactions energy: -6.461 where: short stacking energy: -6.461 Base-Backbone interact. energy: -0.000 local terms energy: -18.340669 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -4.413 flat angles P-C4'-P energy: -3.284 tors. eta vs tors. theta energy: -1.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -22.604555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.604555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.604555 (E_RNA) where: Base-Base interactions energy: -7.608 where: short stacking energy: -7.800 Base-Backbone interact. energy: -0.000 local terms energy: -14.996800 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -0.488 flat angles P-C4'-P energy: -2.285 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: 10, replica: 8 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -19.410838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.410838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.410838 (E_RNA) where: Base-Base interactions energy: -2.964 where: short stacking energy: -3.264 Base-Backbone interact. energy: -0.003 local terms energy: -16.443684 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.345 flat angles P-C4'-P energy: -1.773 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: 1, replica: 7 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -25.297508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.297508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.297508 (E_RNA) where: Base-Base interactions energy: -8.710 where: short stacking energy: -8.710 Base-Backbone interact. energy: -0.023 local terms energy: -16.564413 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -3.811 flat angles C4'-P-C4' energy: -3.374 flat angles P-C4'-P energy: -2.888 tors. eta vs tors. theta energy: -2.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -28.142052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.142052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.142052 (E_RNA) where: Base-Base interactions energy: -10.662 where: short stacking energy: -10.662 Base-Backbone interact. energy: -0.000 local terms energy: -17.479807 where: bonds (distance) C4'-P energy: -3.673 bonds (distance) P-C4' energy: -2.956 flat angles C4'-P-C4' energy: -3.890 flat angles P-C4'-P energy: -3.338 tors. eta vs tors. theta energy: -3.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -29.510860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.510860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.510860 (E_RNA) where: Base-Base interactions energy: -9.695 where: short stacking energy: -9.695 Base-Backbone interact. energy: -0.032 local terms energy: -19.783980 where: bonds (distance) C4'-P energy: -3.152 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.468 flat angles P-C4'-P energy: -3.770 tors. eta vs tors. theta energy: -3.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -24.968615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.968615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.968615 (E_RNA) where: Base-Base interactions energy: -8.332 where: short stacking energy: -8.332 Base-Backbone interact. energy: -0.000 local terms energy: -16.637010 where: bonds (distance) C4'-P energy: -3.939 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -3.434 flat angles P-C4'-P energy: -2.881 tors. eta vs tors. theta energy: -1.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -25.607313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.607313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.607313 (E_RNA) where: Base-Base interactions energy: -9.268 where: short stacking energy: -9.268 Base-Backbone interact. energy: -0.002 local terms energy: -16.337077 where: bonds (distance) C4'-P energy: -3.708 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -4.276 flat angles P-C4'-P energy: -1.344 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: 6, replica: 5 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -21.062866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.062866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.062866 (E_RNA) where: Base-Base interactions energy: -5.180 where: short stacking energy: -5.180 Base-Backbone interact. energy: -0.000 local terms energy: -15.882125 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.053 flat angles P-C4'-P energy: -2.369 tors. eta vs tors. theta energy: -1.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -27.429895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.429895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.429895 (E_RNA) where: Base-Base interactions energy: -10.631 where: short stacking energy: -10.631 Base-Backbone interact. energy: -0.000 local terms energy: -16.798545 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -2.831 flat angles P-C4'-P energy: -2.937 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: 8, replica: 6 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -20.703425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.703425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.703425 (E_RNA) where: Base-Base interactions energy: -3.514 where: short stacking energy: -3.514 Base-Backbone interact. energy: -0.000 local terms energy: -17.189315 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.887 flat angles P-C4'-P energy: -3.029 tors. eta vs tors. theta energy: -1.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -21.160861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.160861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.160861 (E_RNA) where: Base-Base interactions energy: -6.890 where: short stacking energy: -6.890 Base-Backbone interact. energy: -0.036 local terms energy: -14.234622 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -2.413 flat angles C4'-P-C4' energy: -3.203 flat angles P-C4'-P energy: -3.835 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: 8 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -21.144100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.144100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.144100 (E_RNA) where: Base-Base interactions energy: -6.878 where: short stacking energy: -6.878 Base-Backbone interact. energy: -0.000 local terms energy: -14.266248 where: bonds (distance) C4'-P energy: -2.928 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.832 flat angles P-C4'-P energy: -0.970 tors. eta vs tors. theta energy: -1.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -29.078552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.078552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.078552 (E_RNA) where: Base-Base interactions energy: -10.556 where: short stacking energy: -10.556 Base-Backbone interact. energy: -0.000 local terms energy: -18.522299 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -4.575 flat angles P-C4'-P energy: -2.329 tors. eta vs tors. theta energy: -3.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -22.520279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.520279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.520279 (E_RNA) where: Base-Base interactions energy: -4.888 where: short stacking energy: -4.888 Base-Backbone interact. energy: -0.002 local terms energy: -17.629657 where: bonds (distance) C4'-P energy: -3.761 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.466 flat angles P-C4'-P energy: -3.652 tors. eta vs tors. theta energy: -0.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -22.553170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.553170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.553170 (E_RNA) where: Base-Base interactions energy: -7.520 where: short stacking energy: -7.520 Base-Backbone interact. energy: -0.210 local terms energy: -14.822810 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -1.466 flat angles P-C4'-P energy: -3.946 tors. eta vs tors. theta energy: -0.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -26.867025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.867025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.867025 (E_RNA) where: Base-Base interactions energy: -11.166 where: short stacking energy: -11.166 Base-Backbone interact. energy: -0.000 local terms energy: -15.701138 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.441 flat angles C4'-P-C4' energy: -3.498 flat angles P-C4'-P energy: -1.655 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: 5, replica: 5 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -26.113812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.113812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.113812 (E_RNA) where: Base-Base interactions energy: -11.436 where: short stacking energy: -11.436 Base-Backbone interact. energy: -0.000 local terms energy: -14.677072 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.416 flat angles C4'-P-C4' energy: -4.167 flat angles P-C4'-P energy: -1.279 tors. eta vs tors. theta energy: -0.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -23.224707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.224707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.224707 (E_RNA) where: Base-Base interactions energy: -8.942 where: short stacking energy: -8.942 Base-Backbone interact. energy: -0.000 local terms energy: -14.282716 where: bonds (distance) C4'-P energy: -3.397 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.953 flat angles P-C4'-P energy: -0.697 tors. eta vs tors. theta energy: -1.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -20.562075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.562075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.562075 (E_RNA) where: Base-Base interactions energy: -7.365 where: short stacking energy: -7.365 Base-Backbone interact. energy: -0.866 local terms energy: -12.331145 where: bonds (distance) C4'-P energy: -2.983 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -2.707 flat angles P-C4'-P energy: -1.100 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: 8, replica: 10 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -21.669030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.669030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.669030 (E_RNA) where: Base-Base interactions energy: -8.729 where: short stacking energy: -8.729 Base-Backbone interact. energy: -0.000 local terms energy: -12.940173 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -3.790 flat angles C4'-P-C4' energy: -3.076 flat angles P-C4'-P energy: -0.881 tors. eta vs tors. theta energy: -1.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -22.114697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.114697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.114697 (E_RNA) where: Base-Base interactions energy: -10.135 where: short stacking energy: -10.135 Base-Backbone interact. energy: -0.033 local terms energy: -11.946495 where: bonds (distance) C4'-P energy: -1.049 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -3.619 flat angles P-C4'-P energy: -1.301 tors. eta vs tors. theta energy: -1.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -18.721934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.721934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.721934 (E_RNA) where: Base-Base interactions energy: -4.006 where: short stacking energy: -4.006 Base-Backbone interact. energy: -0.003 local terms energy: -14.713555 where: bonds (distance) C4'-P energy: -2.987 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.554 flat angles P-C4'-P energy: -3.445 tors. eta vs tors. theta energy: -0.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -26.325737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.325737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.325737 (E_RNA) where: Base-Base interactions energy: -7.367 where: short stacking energy: -7.367 Base-Backbone interact. energy: -0.012 local terms energy: -18.946355 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.446 flat angles P-C4'-P energy: -3.795 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: 2, replica: 4 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -25.369351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.369351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.369351 (E_RNA) where: Base-Base interactions energy: -6.616 where: short stacking energy: -6.616 Base-Backbone interact. energy: -0.017 local terms energy: -18.736250 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.027 flat angles P-C4'-P energy: -3.593 tors. eta vs tors. theta energy: -1.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -24.649830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.649830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.649830 (E_RNA) where: Base-Base interactions energy: -6.919 where: short stacking energy: -6.919 Base-Backbone interact. energy: -0.025 local terms energy: -17.706094 where: bonds (distance) C4'-P energy: -1.053 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.150 flat angles P-C4'-P energy: -3.701 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: 4, replica: 5 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -24.759095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.759095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.759095 (E_RNA) where: Base-Base interactions energy: -6.751 where: short stacking energy: -6.751 Base-Backbone interact. energy: -0.000 local terms energy: -18.008073 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.534 flat angles P-C4'-P energy: -2.427 tors. eta vs tors. theta energy: -2.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -24.554899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.554899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.554899 (E_RNA) where: Base-Base interactions energy: -6.982 where: short stacking energy: -6.982 Base-Backbone interact. energy: -0.010 local terms energy: -17.562216 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -3.851 flat angles P-C4'-P energy: -1.866 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: 6, replica: 6 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -22.502904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.502904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.502904 (E_RNA) where: Base-Base interactions energy: -7.620 where: short stacking energy: -7.620 Base-Backbone interact. energy: -0.001 local terms energy: -14.881145 where: bonds (distance) C4'-P energy: -2.573 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -3.835 flat angles P-C4'-P energy: -1.867 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: 7, replica: 9 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -21.008646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.008646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.008646 (E_RNA) where: Base-Base interactions energy: -2.751 where: short stacking energy: -2.751 Base-Backbone interact. energy: -0.051 local terms energy: -18.207143 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.013 flat angles P-C4'-P energy: -2.587 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: 8, replica: 10 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -28.716297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.716297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.716297 (E_RNA) where: Base-Base interactions energy: -12.454 where: short stacking energy: -12.454 Base-Backbone interact. energy: -0.000 local terms energy: -16.262088 where: bonds (distance) C4'-P energy: -3.161 bonds (distance) P-C4' energy: -3.984 flat angles C4'-P-C4' energy: -3.738 flat angles P-C4'-P energy: -3.318 tors. eta vs tors. theta energy: -2.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -22.331024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.331024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.331024 (E_RNA) where: Base-Base interactions energy: -5.554 where: short stacking energy: -5.554 Base-Backbone interact. energy: -0.000 local terms energy: -16.777258 where: bonds (distance) C4'-P energy: -3.479 bonds (distance) P-C4' energy: -4.413 flat angles C4'-P-C4' energy: -4.481 flat angles P-C4'-P energy: -3.440 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: 10, replica: 1 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -20.724487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.724487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.724487 (E_RNA) where: Base-Base interactions energy: -4.463 where: short stacking energy: -4.463 Base-Backbone interact. energy: -0.000 local terms energy: -16.261154 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -2.633 flat angles P-C4'-P energy: -2.967 tors. eta vs tors. theta energy: -1.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -30.236220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.236220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.236220 (E_RNA) where: Base-Base interactions energy: -11.166 where: short stacking energy: -11.166 Base-Backbone interact. energy: -0.000 local terms energy: -19.070032 where: bonds (distance) C4'-P energy: -3.869 bonds (distance) P-C4' energy: -4.205 flat angles C4'-P-C4' energy: -4.782 flat angles P-C4'-P energy: -2.324 tors. eta vs tors. theta energy: -3.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -27.247556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.247556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.247556 (E_RNA) where: Base-Base interactions energy: -10.736 where: short stacking energy: -10.736 Base-Backbone interact. energy: -0.000 local terms energy: -16.511816 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -3.984 flat angles C4'-P-C4' energy: -3.735 flat angles P-C4'-P energy: -2.325 tors. eta vs tors. theta energy: -2.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -27.784260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.784260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.784260 (E_RNA) where: Base-Base interactions energy: -9.426 where: short stacking energy: -9.426 Base-Backbone interact. energy: 0.674 local terms energy: -19.031266 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -2.697 flat angles P-C4'-P energy: -2.704 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: 4, replica: 7 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -25.555590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.555590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.555590 (E_RNA) where: Base-Base interactions energy: -6.833 where: short stacking energy: -6.833 Base-Backbone interact. energy: -0.003 local terms energy: -18.720020 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -4.000 flat angles P-C4'-P energy: -3.226 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: 5, replica: 6 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -30.369500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.369500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.369500 (E_RNA) where: Base-Base interactions energy: -10.346 where: short stacking energy: -10.346 Base-Backbone interact. energy: -0.000 local terms energy: -20.023042 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -3.748 flat angles C4'-P-C4' energy: -4.544 flat angles P-C4'-P energy: -2.653 tors. eta vs tors. theta energy: -5.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -24.478495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.478495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.478495 (E_RNA) where: Base-Base interactions energy: -6.705 where: short stacking energy: -6.705 Base-Backbone interact. energy: -0.041 local terms energy: -17.732834 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.854 flat angles P-C4'-P energy: -2.840 tors. eta vs tors. theta energy: -1.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -18.734030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.734030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.734030 (E_RNA) where: Base-Base interactions energy: -4.580 where: short stacking energy: -4.580 Base-Backbone interact. energy: -0.003 local terms energy: -14.151075 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -3.981 flat angles C4'-P-C4' energy: -3.907 flat angles P-C4'-P energy: -1.530 tors. eta vs tors. theta energy: -1.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -21.301214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.301214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.301214 (E_RNA) where: Base-Base interactions energy: -6.436 where: short stacking energy: -6.436 Base-Backbone interact. energy: -0.098 local terms energy: -14.766950 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.345 flat angles P-C4'-P energy: -1.326 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: 1 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -20.373092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.373092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.373092 (E_RNA) where: Base-Base interactions energy: -3.281 where: short stacking energy: -3.281 Base-Backbone interact. energy: -0.136 local terms energy: -16.956492 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -3.250 flat angles P-C4'-P energy: -3.490 tors. eta vs tors. theta energy: -1.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -21.329273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.329273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.329273 (E_RNA) where: Base-Base interactions energy: -5.974 where: short stacking energy: -5.974 Base-Backbone interact. energy: -0.000 local terms energy: -15.354966 where: bonds (distance) C4'-P energy: -1.108 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -4.272 flat angles P-C4'-P energy: -1.311 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: 1, replica: 4 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -26.182284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.182284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.182284 (E_RNA) where: Base-Base interactions energy: -8.959 where: short stacking energy: -9.153 Base-Backbone interact. energy: -0.001 local terms energy: -17.222224 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.103 flat angles C4'-P-C4' energy: -3.591 flat angles P-C4'-P energy: -2.623 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: 2, replica: 5 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -30.186039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.186039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.186039 (E_RNA) where: Base-Base interactions energy: -10.643 where: short stacking energy: -10.643 Base-Backbone interact. energy: -0.000 local terms energy: -19.543346 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -3.370 flat angles C4'-P-C4' energy: -4.131 flat angles P-C4'-P energy: -3.908 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: 3, replica: 2 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -25.063585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.063585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.063585 (E_RNA) where: Base-Base interactions energy: -7.170 where: short stacking energy: -7.170 Base-Backbone interact. energy: -0.000 local terms energy: -17.893883 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -3.815 flat angles C4'-P-C4' energy: -3.830 flat angles P-C4'-P energy: -2.911 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: 4, replica: 7 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -25.062496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.062496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.062496 (E_RNA) where: Base-Base interactions energy: -7.498 where: short stacking energy: -7.498 Base-Backbone interact. energy: -0.000 local terms energy: -17.564214 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.614 flat angles P-C4'-P energy: -0.984 tors. eta vs tors. theta energy: -3.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -23.023378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.023378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.023378 (E_RNA) where: Base-Base interactions energy: -8.042 where: short stacking energy: -8.042 Base-Backbone interact. energy: -0.042 local terms energy: -14.939524 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -2.029 flat angles C4'-P-C4' energy: -4.291 flat angles P-C4'-P energy: -1.054 tors. eta vs tors. theta energy: -2.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -25.783498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.783498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.783498 (E_RNA) where: Base-Base interactions energy: -9.834 where: short stacking energy: -9.834 Base-Backbone interact. energy: -0.000 local terms energy: -15.949445 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -2.704 flat angles P-C4'-P energy: -1.924 tors. eta vs tors. theta energy: -3.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -23.175414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.175414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.175414 (E_RNA) where: Base-Base interactions energy: -7.510 where: short stacking energy: -7.510 Base-Backbone interact. energy: -0.100 local terms energy: -15.565342 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -3.938 flat angles P-C4'-P energy: -3.381 tors. eta vs tors. theta energy: -0.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -22.748510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.748510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.748510 (E_RNA) where: Base-Base interactions energy: -6.868 where: short stacking energy: -6.868 Base-Backbone interact. energy: -0.041 local terms energy: -15.838720 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -4.407 flat angles P-C4'-P energy: -3.598 tors. eta vs tors. theta energy: 0.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -23.053382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.053382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.053382 (E_RNA) where: Base-Base interactions energy: -5.918 where: short stacking energy: -5.918 Base-Backbone interact. energy: -0.002 local terms energy: -17.133616 where: bonds (distance) C4'-P energy: -2.722 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.187 flat angles P-C4'-P energy: -3.843 tors. eta vs tors. theta energy: -1.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -19.005624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.005624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.005624 (E_RNA) where: Base-Base interactions energy: -6.656 where: short stacking energy: -6.656 Base-Backbone interact. energy: -0.001 local terms energy: -12.348517 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -3.321 flat angles C4'-P-C4' energy: -1.966 flat angles P-C4'-P energy: -1.483 tors. eta vs tors. theta energy: -1.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -29.737692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.737692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.737692 (E_RNA) where: Base-Base interactions energy: -11.850 where: short stacking energy: -11.850 Base-Backbone interact. energy: -0.000 local terms energy: -17.887652 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -2.506 flat angles P-C4'-P energy: -2.129 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: 2, replica: 5 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -25.380476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.380476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.380476 (E_RNA) where: Base-Base interactions energy: -7.981 where: short stacking energy: -7.981 Base-Backbone interact. energy: -0.000 local terms energy: -17.399828 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -3.290 flat angles C4'-P-C4' energy: -4.731 flat angles P-C4'-P energy: -2.521 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: 3, replica: 7 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -27.036550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.036550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.036550 (E_RNA) where: Base-Base interactions energy: -10.304 where: short stacking energy: -10.304 Base-Backbone interact. energy: -0.000 local terms energy: -16.732363 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.093 flat angles P-C4'-P energy: -1.694 tors. eta vs tors. theta energy: -1.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -28.224248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.224248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.224248 (E_RNA) where: Base-Base interactions energy: -7.855 where: short stacking energy: -7.855 Base-Backbone interact. energy: -0.000 local terms energy: -20.368745 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.394 flat angles P-C4'-P energy: -3.121 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: 9 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -26.874253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.874253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.874253 (E_RNA) where: Base-Base interactions energy: -8.066 where: short stacking energy: -8.066 Base-Backbone interact. energy: -0.000 local terms energy: -18.808190 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.885 flat angles P-C4'-P energy: -2.903 tors. eta vs tors. theta energy: -3.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -24.819772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.819772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.819772 (E_RNA) where: Base-Base interactions energy: -7.865 where: short stacking energy: -7.865 Base-Backbone interact. energy: -0.000 local terms energy: -16.954135 where: bonds (distance) C4'-P energy: -4.427 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.780 flat angles P-C4'-P energy: -3.070 tors. eta vs tors. theta energy: -1.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -22.328832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.328832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.328832 (E_RNA) where: Base-Base interactions energy: -3.657 where: short stacking energy: -3.657 Base-Backbone interact. energy: -0.037 local terms energy: -18.635643 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.928 flat angles P-C4'-P energy: -3.281 tors. eta vs tors. theta energy: -1.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -24.053997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.053997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.053997 (E_RNA) where: Base-Base interactions energy: -6.828 where: short stacking energy: -6.828 Base-Backbone interact. energy: -0.000 local terms energy: -17.225779 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.199 flat angles P-C4'-P energy: -3.151 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: 9, replica: 8 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -25.032319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.032319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.032319 (E_RNA) where: Base-Base interactions energy: -6.781 where: short stacking energy: -6.781 Base-Backbone interact. energy: -0.000 local terms energy: -18.250699 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.839 flat angles C4'-P-C4' energy: -4.544 flat angles P-C4'-P energy: -3.021 tors. eta vs tors. theta energy: -1.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -26.748907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.748907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.748907 (E_RNA) where: Base-Base interactions energy: -9.997 where: short stacking energy: -9.997 Base-Backbone interact. energy: -0.000 local terms energy: -16.751508 where: bonds (distance) C4'-P energy: -2.751 bonds (distance) P-C4' energy: -3.553 flat angles C4'-P-C4' energy: -4.068 flat angles P-C4'-P energy: -2.357 tors. eta vs tors. theta energy: -4.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -27.212538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.212538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.212538 (E_RNA) where: Base-Base interactions energy: -7.463 where: short stacking energy: -7.463 Base-Backbone interact. energy: -0.000 local terms energy: -19.749789 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.839 flat angles C4'-P-C4' energy: -4.786 flat angles P-C4'-P energy: -3.549 tors. eta vs tors. theta energy: -2.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -26.231945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.231945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.231945 (E_RNA) where: Base-Base interactions energy: -10.015 where: short stacking energy: -10.015 Base-Backbone interact. energy: -0.009 local terms energy: -16.207727 where: bonds (distance) C4'-P energy: -3.045 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.940 flat angles P-C4'-P energy: -2.952 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: 3, replica: 5 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -23.696794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.696794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.696794 (E_RNA) where: Base-Base interactions energy: -7.352 where: short stacking energy: -7.352 Base-Backbone interact. energy: -0.088 local terms energy: -16.256820 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -3.582 flat angles C4'-P-C4' energy: -4.364 flat angles P-C4'-P energy: -2.159 tors. eta vs tors. theta energy: -1.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -23.393880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.393880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.393880 (E_RNA) where: Base-Base interactions energy: -6.698 where: short stacking energy: -6.698 Base-Backbone interact. energy: -0.078 local terms energy: -16.618165 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.379 flat angles P-C4'-P energy: -1.889 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: 5, replica: 2 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -24.154096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.154096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.154096 (E_RNA) where: Base-Base interactions energy: -7.975 where: short stacking energy: -7.975 Base-Backbone interact. energy: -0.004 local terms energy: -16.175039 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.063 flat angles P-C4'-P energy: -2.059 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: 6, replica: 1 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -26.668229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.668229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.668229 (E_RNA) where: Base-Base interactions energy: -7.442 where: short stacking energy: -7.442 Base-Backbone interact. energy: 0.552 local terms energy: -19.778201 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.360 flat angles P-C4'-P energy: -3.404 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: 7, replica: 6 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -23.296926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.296926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.296926 (E_RNA) where: Base-Base interactions energy: -9.902 where: short stacking energy: -9.902 Base-Backbone interact. energy: -0.000 local terms energy: -13.395017 where: bonds (distance) C4'-P energy: -0.275 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.260 flat angles P-C4'-P energy: -1.486 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: 8 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -24.396865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.396865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.396865 (E_RNA) where: Base-Base interactions energy: -7.392 where: short stacking energy: -7.392 Base-Backbone interact. energy: -0.004 local terms energy: -17.000400 where: bonds (distance) C4'-P energy: -2.121 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.850 flat angles P-C4'-P energy: -4.110 tors. eta vs tors. theta energy: -1.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -21.695572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.695572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.695572 (E_RNA) where: Base-Base interactions energy: -7.033 where: short stacking energy: -7.033 Base-Backbone interact. energy: -0.000 local terms energy: -14.662114 where: bonds (distance) C4'-P energy: -3.384 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -4.369 flat angles P-C4'-P energy: -0.534 tors. eta vs tors. theta energy: -2.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -24.361777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.361777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.361777 (E_RNA) where: Base-Base interactions energy: -7.867 where: short stacking energy: -7.867 Base-Backbone interact. energy: -0.012 local terms energy: -16.483083 where: bonds (distance) C4'-P energy: -4.643 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -2.127 flat angles P-C4'-P energy: -3.219 tors. eta vs tors. theta energy: -1.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -31.201973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.201973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.201973 (E_RNA) where: Base-Base interactions energy: -12.136 where: short stacking energy: -12.136 Base-Backbone interact. energy: -0.000 local terms energy: -19.066414 where: bonds (distance) C4'-P energy: -3.186 bonds (distance) P-C4' energy: -3.535 flat angles C4'-P-C4' energy: -4.771 flat angles P-C4'-P energy: -3.682 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: 2, replica: 4 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -27.571300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.571300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.571300 (E_RNA) where: Base-Base interactions energy: -9.001 where: short stacking energy: -9.001 Base-Backbone interact. energy: -0.006 local terms energy: -18.564176 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -4.441 flat angles C4'-P-C4' energy: -4.447 flat angles P-C4'-P energy: -2.753 tors. eta vs tors. theta energy: -2.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -25.891722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.891722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.891722 (E_RNA) where: Base-Base interactions energy: -8.425 where: short stacking energy: -8.425 Base-Backbone interact. energy: -0.000 local terms energy: -17.466466 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.542 flat angles P-C4'-P energy: -2.755 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: 4, replica: 5 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -24.443438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.443438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.443438 (E_RNA) where: Base-Base interactions energy: -5.651 where: short stacking energy: -5.651 Base-Backbone interact. energy: -0.009 local terms energy: -18.783066 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.288 flat angles P-C4'-P energy: -3.094 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: 1 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -29.728140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.728140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.728140 (E_RNA) where: Base-Base interactions energy: -9.027 where: short stacking energy: -9.027 Base-Backbone interact. energy: -0.000 local terms energy: -20.701134 where: bonds (distance) C4'-P energy: -3.032 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.521 flat angles P-C4'-P energy: -3.965 tors. eta vs tors. theta energy: -4.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -21.986418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.986418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.986418 (E_RNA) where: Base-Base interactions energy: -6.234 where: short stacking energy: -6.234 Base-Backbone interact. energy: -0.000 local terms energy: -15.752319 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.450 flat angles P-C4'-P energy: 0.558 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: 7, replica: 6 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -22.562471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.562471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.562471 (E_RNA) where: Base-Base interactions energy: -5.807 where: short stacking energy: -5.807 Base-Backbone interact. energy: -0.057 local terms energy: -16.698184 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.482 flat angles P-C4'-P energy: -2.816 tors. eta vs tors. theta energy: -1.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -24.006229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.006229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.006229 (E_RNA) where: Base-Base interactions energy: -5.840 where: short stacking energy: -5.840 Base-Backbone interact. energy: -0.000 local terms energy: -18.165686 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.682 flat angles P-C4'-P energy: -3.759 tors. eta vs tors. theta energy: -1.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -19.408115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.408115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.408115 (E_RNA) where: Base-Base interactions energy: -4.242 where: short stacking energy: -4.242 Base-Backbone interact. energy: -0.000 local terms energy: -15.166059 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -2.370 flat angles C4'-P-C4' energy: -4.290 flat angles P-C4'-P energy: -3.289 tors. eta vs tors. theta energy: -1.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -21.702346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.702346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.702346 (E_RNA) where: Base-Base interactions energy: -5.881 where: short stacking energy: -5.881 Base-Backbone interact. energy: -0.000 local terms energy: -15.821584 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -4.417 flat angles C4'-P-C4' energy: -3.997 flat angles P-C4'-P energy: -2.627 tors. eta vs tors. theta energy: -0.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -28.904662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.904662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.904662 (E_RNA) where: Base-Base interactions energy: -11.681 where: short stacking energy: -11.681 Base-Backbone interact. energy: -0.000 local terms energy: -17.223810 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.367 flat angles C4'-P-C4' energy: -3.434 flat angles P-C4'-P energy: -2.717 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: 9 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -28.122867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.122867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.122867 (E_RNA) where: Base-Base interactions energy: -9.818 where: short stacking energy: -9.818 Base-Backbone interact. energy: -0.382 local terms energy: -17.922456 where: bonds (distance) C4'-P energy: -4.125 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -3.801 flat angles P-C4'-P energy: -3.431 tors. eta vs tors. theta energy: -1.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -25.453058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.453058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.453058 (E_RNA) where: Base-Base interactions energy: -8.560 where: short stacking energy: -8.560 Base-Backbone interact. energy: -0.035 local terms energy: -16.858144 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -2.778 flat angles P-C4'-P energy: -3.672 tors. eta vs tors. theta energy: -1.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -30.183126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.183126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.183126 (E_RNA) where: Base-Base interactions energy: -11.243 where: short stacking energy: -11.243 Base-Backbone interact. energy: -0.000 local terms energy: -18.939784 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.169 flat angles P-C4'-P energy: -2.224 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: 5, replica: 5 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -27.850849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.850849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.850849 (E_RNA) where: Base-Base interactions energy: -9.891 where: short stacking energy: -9.891 Base-Backbone interact. energy: -0.000 local terms energy: -17.959794 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -2.963 flat angles P-C4'-P energy: -3.352 tors. eta vs tors. theta energy: -3.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -22.132263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.132263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.132263 (E_RNA) where: Base-Base interactions energy: -7.455 where: short stacking energy: -7.455 Base-Backbone interact. energy: -0.007 local terms energy: -14.670379 where: bonds (distance) C4'-P energy: -0.958 bonds (distance) P-C4' energy: -3.966 flat angles C4'-P-C4' energy: -4.510 flat angles P-C4'-P energy: -3.409 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: 6 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -25.845985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.845985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.845985 (E_RNA) where: Base-Base interactions energy: -7.640 where: short stacking energy: -7.640 Base-Backbone interact. energy: -0.007 local terms energy: -18.199065 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.366 flat angles P-C4'-P energy: -3.899 tors. eta vs tors. theta energy: -2.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -21.892041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.892041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.892041 (E_RNA) where: Base-Base interactions energy: -7.872 where: short stacking energy: -7.872 Base-Backbone interact. energy: -0.000 local terms energy: -14.019896 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -3.128 flat angles C4'-P-C4' energy: -4.873 flat angles P-C4'-P energy: 0.225 tors. eta vs tors. theta energy: -1.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -21.446610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.446610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.446610 (E_RNA) where: Base-Base interactions energy: -7.172 where: short stacking energy: -7.172 Base-Backbone interact. energy: -0.000 local terms energy: -14.274132 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -0.856 flat angles P-C4'-P energy: -2.571 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: 10 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -24.506440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.506440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.506440 (E_RNA) where: Base-Base interactions energy: -7.964 where: short stacking energy: -7.964 Base-Backbone interact. energy: -0.000 local terms energy: -16.542910 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.992 flat angles P-C4'-P energy: -3.478 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: 9 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -29.417296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.417296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.417296 (E_RNA) where: Base-Base interactions energy: -11.446 where: short stacking energy: -11.446 Base-Backbone interact. energy: -0.000 local terms energy: -17.971195 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.584 flat angles P-C4'-P energy: -1.304 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: 7 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -25.342754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.342754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.342754 (E_RNA) where: Base-Base interactions energy: -7.985 where: short stacking energy: -7.985 Base-Backbone interact. energy: -0.001 local terms energy: -17.357108 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -3.483 flat angles P-C4'-P energy: -3.586 tors. eta vs tors. theta energy: -2.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -24.211847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.211847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.211847 (E_RNA) where: Base-Base interactions energy: -7.446 where: short stacking energy: -7.446 Base-Backbone interact. energy: -0.001 local terms energy: -16.765211 where: bonds (distance) C4'-P energy: -4.009 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.050 flat angles P-C4'-P energy: -2.293 tors. eta vs tors. theta energy: -1.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -28.114394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.114394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.114394 (E_RNA) where: Base-Base interactions energy: -7.988 where: short stacking energy: -7.988 Base-Backbone interact. energy: -0.005 local terms energy: -20.121171 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.299 flat angles P-C4'-P energy: -3.540 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: 2 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -24.276468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.276468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.276468 (E_RNA) where: Base-Base interactions energy: -7.737 where: short stacking energy: -7.737 Base-Backbone interact. energy: -0.000 local terms energy: -16.539110 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -3.096 flat angles C4'-P-C4' energy: -3.923 flat angles P-C4'-P energy: -2.817 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: 6, replica: 5 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -21.761888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.761888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.761888 (E_RNA) where: Base-Base interactions energy: -5.022 where: short stacking energy: -5.022 Base-Backbone interact. energy: -0.000 local terms energy: -16.739654 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.084 flat angles P-C4'-P energy: -2.290 tors. eta vs tors. theta energy: -0.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -23.493270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.493270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.493270 (E_RNA) where: Base-Base interactions energy: -6.420 where: short stacking energy: -6.420 Base-Backbone interact. energy: -0.002 local terms energy: -17.071325 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.452 flat angles P-C4'-P energy: -2.587 tors. eta vs tors. theta energy: -1.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -21.770201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.770201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.770201 (E_RNA) where: Base-Base interactions energy: -7.244 where: short stacking energy: -7.244 Base-Backbone interact. energy: -0.023 local terms energy: -14.503744 where: bonds (distance) C4'-P energy: -3.124 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.118 flat angles P-C4'-P energy: -2.653 tors. eta vs tors. theta energy: 0.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -18.632839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.632839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.632839 (E_RNA) where: Base-Base interactions energy: -8.546 where: short stacking energy: -8.546 Base-Backbone interact. energy: -0.066 local terms energy: -10.021036 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -0.136 flat angles C4'-P-C4' energy: -3.355 flat angles P-C4'-P energy: -2.256 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: 8 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -22.082347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.082347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.082347 (E_RNA) where: Base-Base interactions energy: -6.902 where: short stacking energy: -6.902 Base-Backbone interact. energy: -0.000 local terms energy: -15.180484 where: bonds (distance) C4'-P energy: -2.962 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -2.638 flat angles P-C4'-P energy: -3.233 tors. eta vs tors. theta energy: -1.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -29.163722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.163722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.163722 (E_RNA) where: Base-Base interactions energy: -7.621 where: short stacking energy: -7.621 Base-Backbone interact. energy: -0.000 local terms energy: -21.542229 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.224 flat angles P-C4'-P energy: -2.824 tors. eta vs tors. theta energy: -4.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -26.531061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.531061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.531061 (E_RNA) where: Base-Base interactions energy: -7.891 where: short stacking energy: -7.891 Base-Backbone interact. energy: -0.000 local terms energy: -18.640405 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.629 flat angles P-C4'-P energy: -2.873 tors. eta vs tors. theta energy: -1.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -23.616370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.616370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.616370 (E_RNA) where: Base-Base interactions energy: -8.077 where: short stacking energy: -8.077 Base-Backbone interact. energy: -0.082 local terms energy: -15.458268 where: bonds (distance) C4'-P energy: -2.892 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.762 flat angles P-C4'-P energy: -2.419 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: 4, replica: 2 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -28.221389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.221389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.221389 (E_RNA) where: Base-Base interactions energy: -10.112 where: short stacking energy: -10.112 Base-Backbone interact. energy: -0.000 local terms energy: -18.109863 where: bonds (distance) C4'-P energy: -3.673 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.082 flat angles P-C4'-P energy: -1.625 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: 5, replica: 4 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -24.199536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.199536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.199536 (E_RNA) where: Base-Base interactions energy: -9.766 where: short stacking energy: -9.766 Base-Backbone interact. energy: -0.002 local terms energy: -14.431832 where: bonds (distance) C4'-P energy: -2.573 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -2.564 flat angles P-C4'-P energy: -3.709 tors. eta vs tors. theta energy: -0.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -22.588591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.588591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.588591 (E_RNA) where: Base-Base interactions energy: -5.810 where: short stacking energy: -5.810 Base-Backbone interact. energy: -0.000 local terms energy: -16.778155 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.525 flat angles P-C4'-P energy: -3.085 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: 7, replica: 5 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -25.747154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.747154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.747154 (E_RNA) where: Base-Base interactions energy: -6.588 where: short stacking energy: -6.588 Base-Backbone interact. energy: -0.000 local terms energy: -19.159481 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.974 flat angles P-C4'-P energy: -3.406 tors. eta vs tors. theta energy: -2.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -25.606131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.606131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.606131 (E_RNA) where: Base-Base interactions energy: -6.879 where: short stacking energy: -6.879 Base-Backbone interact. energy: -0.000 local terms energy: -18.727315 where: bonds (distance) C4'-P energy: -2.904 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -3.325 flat angles P-C4'-P energy: -3.651 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: 9, replica: 6 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -24.130296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.130296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.130296 (E_RNA) where: Base-Base interactions energy: -8.086 where: short stacking energy: -8.086 Base-Backbone interact. energy: -0.000 local terms energy: -16.044572 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.659 flat angles P-C4'-P energy: -0.528 tors. eta vs tors. theta energy: -2.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -20.158332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.158332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.158332 (E_RNA) where: Base-Base interactions energy: -2.833 where: short stacking energy: -2.833 Base-Backbone interact. energy: -0.000 local terms energy: -17.325345 where: bonds (distance) C4'-P energy: -3.430 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.309 flat angles P-C4'-P energy: -3.107 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: 1 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -26.684755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.684755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.684755 (E_RNA) where: Base-Base interactions energy: -6.685 where: short stacking energy: -7.348 Base-Backbone interact. energy: -0.003 local terms energy: -19.997533 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.683 flat angles P-C4'-P energy: -2.843 tors. eta vs tors. theta energy: -3.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -26.914714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.914714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.914714 (E_RNA) where: Base-Base interactions energy: -8.490 where: short stacking energy: -8.490 Base-Backbone interact. energy: -0.000 local terms energy: -18.424998 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -3.415 flat angles P-C4'-P energy: -3.343 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: 3, replica: 2 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -29.170518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.170518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.170518 (E_RNA) where: Base-Base interactions energy: -11.239 where: short stacking energy: -11.239 Base-Backbone interact. energy: -0.000 local terms energy: -17.931421 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.051 flat angles C4'-P-C4' energy: -4.363 flat angles P-C4'-P energy: -2.116 tors. eta vs tors. theta energy: -3.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -25.452136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.452136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.452136 (E_RNA) where: Base-Base interactions energy: -7.665 where: short stacking energy: -7.967 Base-Backbone interact. energy: -0.000 local terms energy: -17.787472 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -2.543 flat angles P-C4'-P energy: -3.398 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: 5, replica: 3 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -23.790359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.790359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.790359 (E_RNA) where: Base-Base interactions energy: -7.955 where: short stacking energy: -7.955 Base-Backbone interact. energy: -0.000 local terms energy: -15.834929 where: bonds (distance) C4'-P energy: -2.697 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.712 flat angles P-C4'-P energy: -2.285 tors. eta vs tors. theta energy: -0.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -25.193937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.193937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.193937 (E_RNA) where: Base-Base interactions energy: -10.684 where: short stacking energy: -10.684 Base-Backbone interact. energy: -0.000 local terms energy: -14.509656 where: bonds (distance) C4'-P energy: -1.579 bonds (distance) P-C4' energy: -3.271 flat angles C4'-P-C4' energy: -4.498 flat angles P-C4'-P energy: -3.732 tors. eta vs tors. theta energy: -1.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -22.188213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.188213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.188213 (E_RNA) where: Base-Base interactions energy: -7.315 where: short stacking energy: -7.315 Base-Backbone interact. energy: -0.000 local terms energy: -14.872835 where: bonds (distance) C4'-P energy: -4.125 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.625 flat angles P-C4'-P energy: -0.978 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: 8, replica: 5 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -24.473194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.473194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.473194 (E_RNA) where: Base-Base interactions energy: -7.544 where: short stacking energy: -7.544 Base-Backbone interact. energy: -0.000 local terms energy: -16.929214 where: bonds (distance) C4'-P energy: -2.423 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.534 flat angles P-C4'-P energy: -3.185 tors. eta vs tors. theta energy: -1.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -20.152522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.152522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.152522 (E_RNA) where: Base-Base interactions energy: -4.445 where: short stacking energy: -4.445 Base-Backbone interact. energy: 0.426 local terms energy: -16.133495 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -4.648 flat angles P-C4'-P energy: -2.520 tors. eta vs tors. theta energy: -0.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -24.449796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.449796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.449796 (E_RNA) where: Base-Base interactions energy: -6.995 where: short stacking energy: -6.995 Base-Backbone interact. energy: -0.001 local terms energy: -17.453356 where: bonds (distance) C4'-P energy: -4.643 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -4.365 flat angles P-C4'-P energy: -3.009 tors. eta vs tors. theta energy: -1.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -29.705426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.705426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.705426 (E_RNA) where: Base-Base interactions energy: -9.090 where: short stacking energy: -9.090 Base-Backbone interact. energy: -0.000 local terms energy: -20.615494 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.813 flat angles P-C4'-P energy: -3.561 tors. eta vs tors. theta energy: -4.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -30.447357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.447357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.447357 (E_RNA) where: Base-Base interactions energy: -10.834 where: short stacking energy: -10.834 Base-Backbone interact. energy: -0.000 local terms energy: -19.613180 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -4.731 flat angles P-C4'-P energy: -2.271 tors. eta vs tors. theta energy: -4.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -25.227935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.227935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.227935 (E_RNA) where: Base-Base interactions energy: -5.628 where: short stacking energy: -5.628 Base-Backbone interact. energy: -0.000 local terms energy: -19.600226 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.481 flat angles P-C4'-P energy: -4.024 tors. eta vs tors. theta energy: -3.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -26.451351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.451351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.451351 (E_RNA) where: Base-Base interactions energy: -7.893 where: short stacking energy: -7.893 Base-Backbone interact. energy: -0.007 local terms energy: -18.550788 where: bonds (distance) C4'-P energy: -3.799 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.836 flat angles P-C4'-P energy: -3.167 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: 5, replica: 7 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -26.176585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.176585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.176585 (E_RNA) where: Base-Base interactions energy: -6.800 where: short stacking energy: -6.800 Base-Backbone interact. energy: -0.000 local terms energy: -19.376883 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.522 flat angles P-C4'-P energy: -3.732 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: 6, replica: 10 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -21.374126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.374126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.374126 (E_RNA) where: Base-Base interactions energy: -2.958 where: short stacking energy: -2.958 Base-Backbone interact. energy: -0.000 local terms energy: -18.415926 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.161 flat angles P-C4'-P energy: -3.430 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: 461 Temperature: 1.200000 Total energy: -25.430607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.430607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.430607 (E_RNA) where: Base-Base interactions energy: -7.017 where: short stacking energy: -7.017 Base-Backbone interact. energy: -0.000 local terms energy: -18.413478 where: bonds (distance) C4'-P energy: -3.567 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -3.448 flat angles P-C4'-P energy: -2.035 tors. eta vs tors. theta energy: -4.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -18.891427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.891427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.891427 (E_RNA) where: Base-Base interactions energy: -4.813 where: short stacking energy: -4.813 Base-Backbone interact. energy: -0.129 local terms energy: -13.949595 where: bonds (distance) C4'-P energy: -2.859 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -2.739 flat angles P-C4'-P energy: -2.570 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: 9, replica: 5 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -23.448295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.448295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.448295 (E_RNA) where: Base-Base interactions energy: -5.563 where: short stacking energy: -5.563 Base-Backbone interact. energy: -0.000 local terms energy: -17.885547 where: bonds (distance) C4'-P energy: -3.673 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -1.767 flat angles P-C4'-P energy: -3.192 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: 6 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -21.753307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.753307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.753307 (E_RNA) where: Base-Base interactions energy: -6.615 where: short stacking energy: -6.615 Base-Backbone interact. energy: -0.034 local terms energy: -15.104040 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.315 flat angles P-C4'-P energy: -2.036 tors. eta vs tors. theta energy: -0.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -23.798962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.798962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.798962 (E_RNA) where: Base-Base interactions energy: -6.450 where: short stacking energy: -6.450 Base-Backbone interact. energy: -0.044 local terms energy: -17.305314 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -3.622 flat angles P-C4'-P energy: -2.169 tors. eta vs tors. theta energy: -2.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -21.836487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.836487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.836487 (E_RNA) where: Base-Base interactions energy: -3.856 where: short stacking energy: -3.856 Base-Backbone interact. energy: -0.002 local terms energy: -17.977861 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -2.711 flat angles P-C4'-P energy: -4.117 tors. eta vs tors. theta energy: -1.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -29.206485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.206485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.206485 (E_RNA) where: Base-Base interactions energy: -11.453 where: short stacking energy: -11.453 Base-Backbone interact. energy: -0.000 local terms energy: -17.753493 where: bonds (distance) C4'-P energy: -3.869 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.430 flat angles P-C4'-P energy: -2.080 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: 4, replica: 3 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -25.800721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.800721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.800721 (E_RNA) where: Base-Base interactions energy: -10.270 where: short stacking energy: -10.270 Base-Backbone interact. energy: -0.000 local terms energy: -15.530238 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.608 flat angles P-C4'-P energy: -2.481 tors. eta vs tors. theta energy: -0.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -24.709998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.709998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.709998 (E_RNA) where: Base-Base interactions energy: -6.040 where: short stacking energy: -6.040 Base-Backbone interact. energy: 0.751 local terms energy: -19.421591 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -3.355 flat angles P-C4'-P energy: -1.712 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: 6, replica: 10 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -25.285638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.285638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.285638 (E_RNA) where: Base-Base interactions energy: -6.924 where: short stacking energy: -6.924 Base-Backbone interact. energy: -0.006 local terms energy: -18.355889 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.697 flat angles P-C4'-P energy: -2.839 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: 7, replica: 8 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -20.516784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.516784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.516784 (E_RNA) where: Base-Base interactions energy: -3.422 where: short stacking energy: -3.422 Base-Backbone interact. energy: -0.100 local terms energy: -16.995052 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.291 flat angles P-C4'-P energy: -2.454 tors. eta vs tors. theta energy: -1.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -20.574293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.574293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.574293 (E_RNA) where: Base-Base interactions energy: -3.804 where: short stacking energy: -3.804 Base-Backbone interact. energy: -0.000 local terms energy: -16.770667 where: bonds (distance) C4'-P energy: -2.946 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.117 flat angles P-C4'-P energy: -2.574 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: 9, replica: 6 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -20.805602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.805602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.805602 (E_RNA) where: Base-Base interactions energy: -6.427 where: short stacking energy: -6.427 Base-Backbone interact. energy: -0.004 local terms energy: -14.374729 where: bonds (distance) C4'-P energy: -3.152 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.062 flat angles P-C4'-P energy: -2.059 tors. eta vs tors. theta energy: -0.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -24.842780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.842780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.842780 (E_RNA) where: Base-Base interactions energy: -10.593 where: short stacking energy: -10.593 Base-Backbone interact. energy: -0.000 local terms energy: -14.249541 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -1.548 flat angles P-C4'-P energy: -0.779 tors. eta vs tors. theta energy: -2.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -30.194103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.194103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.194103 (E_RNA) where: Base-Base interactions energy: -9.172 where: short stacking energy: -9.172 Base-Backbone interact. energy: -0.000 local terms energy: -21.022028 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -3.734 flat angles P-C4'-P energy: -3.891 tors. eta vs tors. theta energy: -4.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -29.109419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.109419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.109419 (E_RNA) where: Base-Base interactions energy: -9.007 where: short stacking energy: -9.007 Base-Backbone interact. energy: -0.000 local terms energy: -20.102836 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -4.148 flat angles P-C4'-P energy: -2.080 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: 3, replica: 1 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -30.235315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.235315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.235315 (E_RNA) where: Base-Base interactions energy: -9.726 where: short stacking energy: -9.726 Base-Backbone interact. energy: -0.000 local terms energy: -20.509045 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -4.712 flat angles P-C4'-P energy: -3.007 tors. eta vs tors. theta energy: -4.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -26.112503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.112503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.112503 (E_RNA) where: Base-Base interactions energy: -8.243 where: short stacking energy: -8.243 Base-Backbone interact. energy: -0.002 local terms energy: -17.867399 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.398 flat angles P-C4'-P energy: -3.958 tors. eta vs tors. theta energy: -0.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -31.370444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.370444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.370444 (E_RNA) where: Base-Base interactions energy: -12.209 where: short stacking energy: -12.209 Base-Backbone interact. energy: -0.000 local terms energy: -19.161652 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -3.656 flat angles C4'-P-C4' energy: -3.680 flat angles P-C4'-P energy: -3.151 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: 6, replica: 8 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -23.729775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.729775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.729775 (E_RNA) where: Base-Base interactions energy: -7.071 where: short stacking energy: -7.071 Base-Backbone interact. energy: -0.001 local terms energy: -16.657921 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.379 flat angles P-C4'-P energy: -0.984 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: 10 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -21.201392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.201392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.201392 (E_RNA) where: Base-Base interactions energy: -4.070 where: short stacking energy: -4.070 Base-Backbone interact. energy: -0.000 local terms energy: -17.131630 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -3.553 flat angles C4'-P-C4' energy: -4.403 flat angles P-C4'-P energy: -3.194 tors. eta vs tors. theta energy: -1.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -22.348324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.348324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.348324 (E_RNA) where: Base-Base interactions energy: -7.858 where: short stacking energy: -7.858 Base-Backbone interact. energy: -0.000 local terms energy: -14.490384 where: bonds (distance) C4'-P energy: -2.084 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -2.477 flat angles P-C4'-P energy: -3.425 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: 9, replica: 4 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -22.279966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.279966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.279966 (E_RNA) where: Base-Base interactions energy: -5.130 where: short stacking energy: -5.130 Base-Backbone interact. energy: -0.012 local terms energy: -17.137563 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.243 flat angles P-C4'-P energy: -3.322 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: 10, replica: 5 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -21.671495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.671495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.671495 (E_RNA) where: Base-Base interactions energy: -6.520 where: short stacking energy: -6.520 Base-Backbone interact. energy: -0.048 local terms energy: -15.103818 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.942 flat angles P-C4'-P energy: -1.390 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: 1, replica: 2 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -30.704541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.704541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.704541 (E_RNA) where: Base-Base interactions energy: -11.596 where: short stacking energy: -11.596 Base-Backbone interact. energy: -0.000 local terms energy: -19.108735 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.446 flat angles P-C4'-P energy: -2.965 tors. eta vs tors. theta energy: -3.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -26.654758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.654758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.654758 (E_RNA) where: Base-Base interactions energy: -10.878 where: short stacking energy: -10.878 Base-Backbone interact. energy: -0.001 local terms energy: -15.775640 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -3.447 flat angles P-C4'-P energy: -3.957 tors. eta vs tors. theta energy: -0.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -26.676786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.676786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.676786 (E_RNA) where: Base-Base interactions energy: -6.931 where: short stacking energy: -6.931 Base-Backbone interact. energy: -0.000 local terms energy: -19.746198 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -3.873 flat angles P-C4'-P energy: -3.120 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: 4, replica: 1 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -27.343884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.343884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.343884 (E_RNA) where: Base-Base interactions energy: -8.884 where: short stacking energy: -8.884 Base-Backbone interact. energy: -0.000 local terms energy: -18.459485 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.367 flat angles C4'-P-C4' energy: -4.397 flat angles P-C4'-P energy: -3.052 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: 8 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -25.641944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.641944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.641944 (E_RNA) where: Base-Base interactions energy: -7.975 where: short stacking energy: -7.975 Base-Backbone interact. energy: -0.000 local terms energy: -17.667045 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.261 flat angles P-C4'-P energy: -1.390 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: 6, replica: 7 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -21.918159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.918159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.918159 (E_RNA) where: Base-Base interactions energy: -6.756 where: short stacking energy: -6.756 Base-Backbone interact. energy: -0.126 local terms energy: -15.035888 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -3.969 flat angles C4'-P-C4' energy: -3.042 flat angles P-C4'-P energy: -2.953 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: 6 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -22.298009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.298009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.298009 (E_RNA) where: Base-Base interactions energy: -4.778 where: short stacking energy: -4.778 Base-Backbone interact. energy: -0.022 local terms energy: -17.497539 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.766 flat angles P-C4'-P energy: -2.534 tors. eta vs tors. theta energy: -1.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -20.184586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.184586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.184586 (E_RNA) where: Base-Base interactions energy: -5.943 where: short stacking energy: -5.943 Base-Backbone interact. energy: -0.001 local terms energy: -14.240308 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -3.371 flat angles C4'-P-C4' energy: -2.648 flat angles P-C4'-P energy: -2.759 tors. eta vs tors. theta energy: -1.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -20.947014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.947014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.947014 (E_RNA) where: Base-Base interactions energy: -6.181 where: short stacking energy: -6.181 Base-Backbone interact. energy: -0.000 local terms energy: -14.765755 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -2.507 flat angles C4'-P-C4' energy: -1.906 flat angles P-C4'-P energy: -2.047 tors. eta vs tors. theta energy: -3.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -20.723814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.723814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.723814 (E_RNA) where: Base-Base interactions energy: -5.238 where: short stacking energy: -5.238 Base-Backbone interact. energy: -0.015 local terms energy: -15.470996 where: bonds (distance) C4'-P energy: -4.535 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.287 flat angles P-C4'-P energy: -4.091 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: 2 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -26.694967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.694967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.694967 (E_RNA) where: Base-Base interactions energy: -7.520 where: short stacking energy: -7.520 Base-Backbone interact. energy: -0.002 local terms energy: -19.173303 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.464 flat angles P-C4'-P energy: -3.289 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: 2, replica: 3 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -21.336530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.336530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.336530 (E_RNA) where: Base-Base interactions energy: -6.399 where: short stacking energy: -6.399 Base-Backbone interact. energy: -0.003 local terms energy: -14.934293 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -3.484 flat angles P-C4'-P energy: -1.980 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: 3, replica: 9 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -26.135434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.135434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.135434 (E_RNA) where: Base-Base interactions energy: -6.965 where: short stacking energy: -6.965 Base-Backbone interact. energy: -0.100 local terms energy: -19.070311 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.017 flat angles P-C4'-P energy: -3.862 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: 8 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -24.909567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.909567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.909567 (E_RNA) where: Base-Base interactions energy: -6.835 where: short stacking energy: -6.835 Base-Backbone interact. energy: -0.000 local terms energy: -18.074673 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.767 flat angles P-C4'-P energy: -2.593 tors. eta vs tors. theta energy: -1.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -23.544114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.544114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.544114 (E_RNA) where: Base-Base interactions energy: -7.820 where: short stacking energy: -7.820 Base-Backbone interact. energy: -0.000 local terms energy: -15.723830 where: bonds (distance) C4'-P energy: -1.907 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.781 flat angles P-C4'-P energy: -3.135 tors. eta vs tors. theta energy: -1.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -23.871410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.871410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.871410 (E_RNA) where: Base-Base interactions energy: -7.754 where: short stacking energy: -7.754 Base-Backbone interact. energy: -0.000 local terms energy: -16.117867 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.994 flat angles P-C4'-P energy: -0.713 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: 7, replica: 7 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -24.449757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.449757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.449757 (E_RNA) where: Base-Base interactions energy: -6.424 where: short stacking energy: -6.424 Base-Backbone interact. energy: -0.000 local terms energy: -18.025343 where: bonds (distance) C4'-P energy: -2.788 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.405 flat angles P-C4'-P energy: -2.994 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: 8, replica: 5 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -21.483789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.483789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.483789 (E_RNA) where: Base-Base interactions energy: -6.719 where: short stacking energy: -6.719 Base-Backbone interact. energy: -0.000 local terms energy: -14.764103 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -2.474 flat angles P-C4'-P energy: -1.471 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: 9, replica: 10 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -22.122097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.122097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.122097 (E_RNA) where: Base-Base interactions energy: -6.966 where: short stacking energy: -6.966 Base-Backbone interact. energy: -0.166 local terms energy: -14.989199 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.078 flat angles C4'-P-C4' energy: -4.187 flat angles P-C4'-P energy: -3.238 tors. eta vs tors. theta energy: 0.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -20.048052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.048052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.048052 (E_RNA) where: Base-Base interactions energy: -3.694 where: short stacking energy: -3.694 Base-Backbone interact. energy: -0.024 local terms energy: -16.330051 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.941 flat angles P-C4'-P energy: -2.503 tors. eta vs tors. theta energy: -1.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -28.950126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.950126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.950126 (E_RNA) where: Base-Base interactions energy: -10.559 where: short stacking energy: -10.899 Base-Backbone interact. energy: -1.052 local terms energy: -17.338919 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.229 flat angles P-C4'-P energy: -2.461 tors. eta vs tors. theta energy: -2.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -25.391650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.391650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.391650 (E_RNA) where: Base-Base interactions energy: -6.960 where: short stacking energy: -6.960 Base-Backbone interact. energy: -0.000 local terms energy: -18.431977 where: bonds (distance) C4'-P energy: -3.334 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -4.434 flat angles P-C4'-P energy: -2.655 tors. eta vs tors. theta energy: -3.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -27.267166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.267166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.267166 (E_RNA) where: Base-Base interactions energy: -7.991 where: short stacking energy: -7.991 Base-Backbone interact. energy: -0.000 local terms energy: -19.275930 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.977 flat angles P-C4'-P energy: -2.852 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: 4, replica: 9 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -24.575223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.575223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.575223 (E_RNA) where: Base-Base interactions energy: -5.119 where: short stacking energy: -5.119 Base-Backbone interact. energy: -0.000 local terms energy: -19.456669 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.951 flat angles P-C4'-P energy: -3.582 tors. eta vs tors. theta energy: -2.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -23.591300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.591300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.591300 (E_RNA) where: Base-Base interactions energy: -5.806 where: short stacking energy: -5.806 Base-Backbone interact. energy: -0.085 local terms energy: -17.699939 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.500 flat angles P-C4'-P energy: -1.527 tors. eta vs tors. theta energy: -2.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -23.023527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.023527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.023527 (E_RNA) where: Base-Base interactions energy: -6.384 where: short stacking energy: -6.384 Base-Backbone interact. energy: -0.023 local terms energy: -16.616890 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.608 flat angles P-C4'-P energy: -3.984 tors. eta vs tors. theta energy: 0.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -20.978756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.978756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.978756 (E_RNA) where: Base-Base interactions energy: -6.279 where: short stacking energy: -6.279 Base-Backbone interact. energy: -0.000 local terms energy: -14.699834 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -3.075 flat angles C4'-P-C4' energy: -2.724 flat angles P-C4'-P energy: -1.969 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: 8, replica: 5 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -20.925731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.925731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.925731 (E_RNA) where: Base-Base interactions energy: -8.157 where: short stacking energy: -8.157 Base-Backbone interact. energy: -0.000 local terms energy: -12.768594 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -1.599 flat angles P-C4'-P energy: 0.419 tors. eta vs tors. theta energy: -2.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -20.694298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.694298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.694298 (E_RNA) where: Base-Base interactions energy: -3.626 where: short stacking energy: -3.626 Base-Backbone interact. energy: -0.081 local terms energy: -16.987853 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.152 flat angles P-C4'-P energy: -3.653 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: 10, replica: 10 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -21.199513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.199513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.199513 (E_RNA) where: Base-Base interactions energy: -6.835 where: short stacking energy: -6.835 Base-Backbone interact. energy: -0.001 local terms energy: -14.363411 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -1.046 flat angles C4'-P-C4' energy: -4.049 flat angles P-C4'-P energy: -2.369 tors. eta vs tors. theta energy: -2.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -30.419467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.419467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.419467 (E_RNA) where: Base-Base interactions energy: -12.017 where: short stacking energy: -12.017 Base-Backbone interact. energy: -0.000 local terms energy: -18.402764 where: bonds (distance) C4'-P energy: -3.479 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.201 flat angles P-C4'-P energy: -2.675 tors. eta vs tors. theta energy: -2.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -31.780002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.780002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.780002 (E_RNA) where: Base-Base interactions energy: -11.342 where: short stacking energy: -11.342 Base-Backbone interact. energy: -0.000 local terms energy: -20.438108 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -3.469 flat angles C4'-P-C4' energy: -4.044 flat angles P-C4'-P energy: -3.965 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: 3, replica: 2 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -24.455902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.455902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.455902 (E_RNA) where: Base-Base interactions energy: -7.648 where: short stacking energy: -7.648 Base-Backbone interact. energy: -0.000 local terms energy: -16.807879 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -3.794 flat angles P-C4'-P energy: -3.511 tors. eta vs tors. theta energy: -0.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -23.900510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.900510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.900510 (E_RNA) where: Base-Base interactions energy: -8.012 where: short stacking energy: -8.012 Base-Backbone interact. energy: -0.013 local terms energy: -15.875726 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.428 flat angles P-C4'-P energy: -3.205 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: 9 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -24.596652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.596652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.596652 (E_RNA) where: Base-Base interactions energy: -7.435 where: short stacking energy: -7.435 Base-Backbone interact. energy: -0.008 local terms energy: -17.153783 where: bonds (distance) C4'-P energy: -3.451 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -4.471 flat angles P-C4'-P energy: -3.090 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: 6, replica: 7 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -23.313166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.313166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.313166 (E_RNA) where: Base-Base interactions energy: -6.549 where: short stacking energy: -6.549 Base-Backbone interact. energy: 0.041 local terms energy: -16.805112 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -2.646 flat angles C4'-P-C4' energy: -4.835 flat angles P-C4'-P energy: -2.453 tors. eta vs tors. theta energy: -2.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -22.721874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.721874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.721874 (E_RNA) where: Base-Base interactions energy: -4.896 where: short stacking energy: -4.896 Base-Backbone interact. energy: -0.000 local terms energy: -17.826073 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -3.786 flat angles C4'-P-C4' energy: -4.334 flat angles P-C4'-P energy: -2.769 tors. eta vs tors. theta energy: -3.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -22.650981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.650981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.650981 (E_RNA) where: Base-Base interactions energy: -6.417 where: short stacking energy: -6.417 Base-Backbone interact. energy: -0.000 local terms energy: -16.234234 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.606 flat angles C4'-P-C4' energy: -3.680 flat angles P-C4'-P energy: -1.249 tors. eta vs tors. theta energy: -2.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -20.857852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.857852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.857852 (E_RNA) where: Base-Base interactions energy: -4.826 where: short stacking energy: -4.826 Base-Backbone interact. energy: -0.000 local terms energy: -16.031873 where: bonds (distance) C4'-P energy: -1.472 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -4.273 flat angles P-C4'-P energy: -3.004 tors. eta vs tors. theta energy: -1.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -21.306836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.306836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.306836 (E_RNA) where: Base-Base interactions energy: -4.165 where: short stacking energy: -4.165 Base-Backbone interact. energy: -0.006 local terms energy: -17.135915 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.689 flat angles P-C4'-P energy: -3.509 tors. eta vs tors. theta energy: -0.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -24.490679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.490679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.490679 (E_RNA) where: Base-Base interactions energy: -7.171 where: short stacking energy: -7.171 Base-Backbone interact. energy: -0.051 local terms energy: -17.268955 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.830 flat angles P-C4'-P energy: -1.972 tors. eta vs tors. theta energy: -2.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -28.903625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.903625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.903625 (E_RNA) where: Base-Base interactions energy: -12.650 where: short stacking energy: -12.650 Base-Backbone interact. energy: -0.000 local terms energy: -16.253299 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -2.895 flat angles C4'-P-C4' energy: -4.097 flat angles P-C4'-P energy: -1.231 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: 3, replica: 2 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -24.604997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.604997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.604997 (E_RNA) where: Base-Base interactions energy: -7.378 where: short stacking energy: -7.378 Base-Backbone interact. energy: -0.000 local terms energy: -17.226689 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -3.981 flat angles C4'-P-C4' energy: -4.027 flat angles P-C4'-P energy: -3.251 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: 1 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -25.299288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.299288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.299288 (E_RNA) where: Base-Base interactions energy: -7.167 where: short stacking energy: -7.167 Base-Backbone interact. energy: -0.000 local terms energy: -18.132288 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -2.968 flat angles P-C4'-P energy: -2.050 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: 9 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -24.511477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.511477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.511477 (E_RNA) where: Base-Base interactions energy: -8.200 where: short stacking energy: -8.200 Base-Backbone interact. energy: -0.003 local terms energy: -16.308050 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -2.644 flat angles P-C4'-P energy: -3.344 tors. eta vs tors. theta energy: -0.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -27.071055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.071055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.071055 (E_RNA) where: Base-Base interactions energy: -8.326 where: short stacking energy: -8.326 Base-Backbone interact. energy: -0.000 local terms energy: -18.744828 where: bonds (distance) C4'-P energy: -4.742 bonds (distance) P-C4' energy: -3.339 flat angles C4'-P-C4' energy: -3.273 flat angles P-C4'-P energy: -3.492 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: 7, replica: 4 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -22.388609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.388609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.388609 (E_RNA) where: Base-Base interactions energy: -7.023 where: short stacking energy: -7.023 Base-Backbone interact. energy: -0.000 local terms energy: -15.364980 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -3.811 flat angles C4'-P-C4' energy: -3.612 flat angles P-C4'-P energy: -2.554 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: 8, replica: 6 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -22.430263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.430263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.430263 (E_RNA) where: Base-Base interactions energy: -4.637 where: short stacking energy: -4.637 Base-Backbone interact. energy: -0.001 local terms energy: -17.792558 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -1.896 flat angles P-C4'-P energy: -3.911 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: 9, replica: 10 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -22.019517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.019517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.019517 (E_RNA) where: Base-Base interactions energy: -4.017 where: short stacking energy: -4.017 Base-Backbone interact. energy: -0.028 local terms energy: -17.973600 where: bonds (distance) C4'-P energy: -2.696 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.717 flat angles P-C4'-P energy: -3.644 tors. eta vs tors. theta energy: -1.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -20.557894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.557894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.557894 (E_RNA) where: Base-Base interactions energy: -2.804 where: short stacking energy: -2.804 Base-Backbone interact. energy: -0.000 local terms energy: -17.754050 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.530 flat angles P-C4'-P energy: -3.403 tors. eta vs tors. theta energy: -1.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -27.318464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.318464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.318464 (E_RNA) where: Base-Base interactions energy: -7.464 where: short stacking energy: -7.464 Base-Backbone interact. energy: -0.000 local terms energy: -19.854054 where: bonds (distance) C4'-P energy: -3.185 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.590 flat angles P-C4'-P energy: -3.647 tors. eta vs tors. theta energy: -3.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -30.027800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.027800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.027800 (E_RNA) where: Base-Base interactions energy: -11.108 where: short stacking energy: -11.108 Base-Backbone interact. energy: -0.001 local terms energy: -18.919182 where: bonds (distance) C4'-P energy: -3.567 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.702 flat angles P-C4'-P energy: -2.222 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: 3 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -28.922069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.922069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.922069 (E_RNA) where: Base-Base interactions energy: -11.671 where: short stacking energy: -11.671 Base-Backbone interact. energy: -0.005 local terms energy: -17.245358 where: bonds (distance) C4'-P energy: -4.009 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.122 flat angles P-C4'-P energy: -2.941 tors. eta vs tors. theta energy: -2.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -24.178211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.178211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.178211 (E_RNA) where: Base-Base interactions energy: -8.163 where: short stacking energy: -8.163 Base-Backbone interact. energy: -0.000 local terms energy: -16.015218 where: bonds (distance) C4'-P energy: -3.425 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.161 flat angles P-C4'-P energy: -3.203 tors. eta vs tors. theta energy: -0.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -22.717570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.717570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.717570 (E_RNA) where: Base-Base interactions energy: -6.594 where: short stacking energy: -6.594 Base-Backbone interact. energy: -0.011 local terms energy: -16.112487 where: bonds (distance) C4'-P energy: -3.194 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.938 flat angles P-C4'-P energy: -3.291 tors. eta vs tors. theta energy: -0.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -26.197289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.197289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.197289 (E_RNA) where: Base-Base interactions energy: -7.479 where: short stacking energy: -7.479 Base-Backbone interact. energy: -0.000 local terms energy: -18.718639 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -3.755 flat angles C4'-P-C4' energy: -4.676 flat angles P-C4'-P energy: -2.805 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: 7, replica: 7 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -22.293658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.293658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.293658 (E_RNA) where: Base-Base interactions energy: -4.966 where: short stacking energy: -4.966 Base-Backbone interact. energy: -0.378 local terms energy: -16.949206 where: bonds (distance) C4'-P energy: -3.042 bonds (distance) P-C4' energy: -3.984 flat angles C4'-P-C4' energy: -3.681 flat angles P-C4'-P energy: -3.170 tors. eta vs tors. theta energy: -3.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -22.694475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.694475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.694475 (E_RNA) where: Base-Base interactions energy: -5.615 where: short stacking energy: -5.615 Base-Backbone interact. energy: -0.000 local terms energy: -17.079351 where: bonds (distance) C4'-P energy: -2.325 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.183 flat angles P-C4'-P energy: -3.491 tors. eta vs tors. theta energy: -3.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -19.840590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.840590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.840590 (E_RNA) where: Base-Base interactions energy: -4.149 where: short stacking energy: -4.149 Base-Backbone interact. energy: -0.000 local terms energy: -15.691079 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.103 flat angles C4'-P-C4' energy: -3.306 flat angles P-C4'-P energy: -2.439 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: 10, replica: 5 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -24.229802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.229802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.229802 (E_RNA) where: Base-Base interactions energy: -10.092 where: short stacking energy: -10.092 Base-Backbone interact. energy: -0.008 local terms energy: -14.130132 where: bonds (distance) C4'-P energy: -2.387 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -2.500 flat angles P-C4'-P energy: -2.332 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: 1, replica: 8 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -29.561202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.561202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.561202 (E_RNA) where: Base-Base interactions energy: -10.874 where: short stacking energy: -10.874 Base-Backbone interact. energy: -0.000 local terms energy: -18.687695 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -3.199 flat angles P-C4'-P energy: -3.120 tors. eta vs tors. theta energy: -3.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -26.516402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.516402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.516402 (E_RNA) where: Base-Base interactions energy: -8.183 where: short stacking energy: -8.183 Base-Backbone interact. energy: -0.000 local terms energy: -18.333877 where: bonds (distance) C4'-P energy: -1.927 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.172 flat angles P-C4'-P energy: -2.315 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: 470 Temperature: 1.000000 Total energy: -22.560408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.560408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.560408 (E_RNA) where: Base-Base interactions energy: -7.869 where: short stacking energy: -7.869 Base-Backbone interact. energy: -0.001 local terms energy: -14.691083 where: bonds (distance) C4'-P energy: -3.513 bonds (distance) P-C4' energy: -3.364 flat angles C4'-P-C4' energy: -4.011 flat angles P-C4'-P energy: -0.995 tors. eta vs tors. theta energy: -2.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -24.459055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.459055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.459055 (E_RNA) where: Base-Base interactions energy: -8.264 where: short stacking energy: -8.264 Base-Backbone interact. energy: -0.004 local terms energy: -16.190861 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -3.786 flat angles C4'-P-C4' energy: -4.286 flat angles P-C4'-P energy: -1.491 tors. eta vs tors. theta energy: -2.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -23.474625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.474625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.474625 (E_RNA) where: Base-Base interactions energy: -7.822 where: short stacking energy: -7.822 Base-Backbone interact. energy: -0.000 local terms energy: -15.652209 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -3.936 flat angles P-C4'-P energy: -1.882 tors. eta vs tors. theta energy: -1.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -23.535146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.535146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.535146 (E_RNA) where: Base-Base interactions energy: -10.155 where: short stacking energy: -10.155 Base-Backbone interact. energy: -0.013 local terms energy: -13.366510 where: bonds (distance) C4'-P energy: -2.573 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -3.104 flat angles P-C4'-P energy: -3.448 tors. eta vs tors. theta energy: 0.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -21.104417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.104417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.104417 (E_RNA) where: Base-Base interactions energy: -4.902 where: short stacking energy: -4.902 Base-Backbone interact. energy: -0.000 local terms energy: -16.202890 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.549 flat angles P-C4'-P energy: -0.856 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: 7 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -20.531600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.531600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.531600 (E_RNA) where: Base-Base interactions energy: -3.859 where: short stacking energy: -3.859 Base-Backbone interact. energy: -0.088 local terms energy: -16.584399 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -2.960 flat angles P-C4'-P energy: -4.091 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: 9, replica: 5 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -23.093339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.093339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.093339 (E_RNA) where: Base-Base interactions energy: -3.605 where: short stacking energy: -3.605 Base-Backbone interact. energy: -0.000 local terms energy: -19.488734 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.229 flat angles P-C4'-P energy: -3.439 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: 10, replica: 6 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -21.566906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.566906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.566906 (E_RNA) where: Base-Base interactions energy: -7.351 where: short stacking energy: -7.351 Base-Backbone interact. energy: -0.001 local terms energy: -14.215687 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -2.264 flat angles C4'-P-C4' energy: -3.126 flat angles P-C4'-P energy: -2.456 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: 1, replica: 8 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -28.046635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.046635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.046635 (E_RNA) where: Base-Base interactions energy: -7.591 where: short stacking energy: -8.365 Base-Backbone interact. energy: -0.011 local terms energy: -20.444855 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -4.279 flat angles P-C4'-P energy: -3.708 tors. eta vs tors. theta energy: -2.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -28.219063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.219063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.219063 (E_RNA) where: Base-Base interactions energy: -11.539 where: short stacking energy: -11.539 Base-Backbone interact. energy: -0.038 local terms energy: -16.642305 where: bonds (distance) C4'-P energy: -3.268 bonds (distance) P-C4' energy: -4.180 flat angles C4'-P-C4' energy: -4.031 flat angles P-C4'-P energy: -3.646 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: 3, replica: 2 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -23.285471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.285471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.285471 (E_RNA) where: Base-Base interactions energy: -4.051 where: short stacking energy: -4.051 Base-Backbone interact. energy: -1.082 local terms energy: -18.151958 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.490 flat angles P-C4'-P energy: -3.051 tors. eta vs tors. theta energy: -0.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -24.433415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.433415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.433415 (E_RNA) where: Base-Base interactions energy: -6.201 where: short stacking energy: -6.201 Base-Backbone interact. energy: -0.026 local terms energy: -18.207176 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.216 flat angles P-C4'-P energy: -2.931 tors. eta vs tors. theta energy: -2.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -25.329358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.329358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.329358 (E_RNA) where: Base-Base interactions energy: -10.511 where: short stacking energy: -10.511 Base-Backbone interact. energy: -0.002 local terms energy: -14.815726 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.751 flat angles C4'-P-C4' energy: -3.693 flat angles P-C4'-P energy: -2.634 tors. eta vs tors. theta energy: -0.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -25.547776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.547776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.547776 (E_RNA) where: Base-Base interactions energy: -8.134 where: short stacking energy: -8.134 Base-Backbone interact. energy: -0.000 local terms energy: -17.413857 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -3.786 flat angles P-C4'-P energy: -2.918 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: 7, replica: 4 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -23.399013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.399013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.399013 (E_RNA) where: Base-Base interactions energy: -6.284 where: short stacking energy: -6.284 Base-Backbone interact. energy: -0.011 local terms energy: -17.104210 where: bonds (distance) C4'-P energy: -3.566 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.583 flat angles P-C4'-P energy: -2.672 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: 5 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -23.716021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.716021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.716021 (E_RNA) where: Base-Base interactions energy: -6.418 where: short stacking energy: -6.418 Base-Backbone interact. energy: -0.000 local terms energy: -17.298390 where: bonds (distance) C4'-P energy: -3.152 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.478 flat angles P-C4'-P energy: -3.425 tors. eta vs tors. theta energy: -2.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -25.218656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.218656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.218656 (E_RNA) where: Base-Base interactions energy: -9.666 where: short stacking energy: -9.666 Base-Backbone interact. energy: -0.000 local terms energy: -15.552718 where: bonds (distance) C4'-P energy: -0.788 bonds (distance) P-C4' energy: -3.870 flat angles C4'-P-C4' energy: -3.075 flat angles P-C4'-P energy: -2.546 tors. eta vs tors. theta energy: -5.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -21.187056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.187056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.187056 (E_RNA) where: Base-Base interactions energy: -6.244 where: short stacking energy: -6.244 Base-Backbone interact. energy: -0.000 local terms energy: -14.943031 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -4.339 flat angles C4'-P-C4' energy: -3.046 flat angles P-C4'-P energy: -1.708 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: 1, replica: 1 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -27.450774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.450774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.450774 (E_RNA) where: Base-Base interactions energy: -7.963 where: short stacking energy: -7.963 Base-Backbone interact. energy: -0.000 local terms energy: -19.487690 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.871 flat angles C4'-P-C4' energy: -2.636 flat angles P-C4'-P energy: -3.994 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: 2, replica: 8 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -29.288397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.288397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.288397 (E_RNA) where: Base-Base interactions energy: -9.865 where: short stacking energy: -9.865 Base-Backbone interact. energy: -0.000 local terms energy: -19.423282 where: bonds (distance) C4'-P energy: -1.977 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -4.299 flat angles P-C4'-P energy: -3.235 tors. eta vs tors. theta energy: -4.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -27.879025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.879025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.879025 (E_RNA) where: Base-Base interactions energy: -9.125 where: short stacking energy: -9.125 Base-Backbone interact. energy: -0.000 local terms energy: -18.753394 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.010 flat angles P-C4'-P energy: -3.107 tors. eta vs tors. theta energy: -3.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -24.028070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.028070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.028070 (E_RNA) where: Base-Base interactions energy: -6.507 where: short stacking energy: -6.507 Base-Backbone interact. energy: -0.229 local terms energy: -17.292598 where: bonds (distance) C4'-P energy: -3.789 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -4.147 flat angles P-C4'-P energy: -3.459 tors. eta vs tors. theta energy: -1.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -28.434475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.434475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.434475 (E_RNA) where: Base-Base interactions energy: -10.595 where: short stacking energy: -10.595 Base-Backbone interact. energy: -0.000 local terms energy: -17.839348 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -3.811 flat angles C4'-P-C4' energy: -4.040 flat angles P-C4'-P energy: -2.504 tors. eta vs tors. theta energy: -3.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -22.819387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.819387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.819387 (E_RNA) where: Base-Base interactions energy: -3.469 where: short stacking energy: -3.469 Base-Backbone interact. energy: -0.001 local terms energy: -19.349508 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.712 flat angles P-C4'-P energy: -3.026 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: 7, replica: 4 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -23.167430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.167430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.167430 (E_RNA) where: Base-Base interactions energy: -6.977 where: short stacking energy: -6.977 Base-Backbone interact. energy: -0.003 local terms energy: -16.187399 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -4.428 flat angles P-C4'-P energy: -1.939 tors. eta vs tors. theta energy: -1.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -19.686513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.686513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.686513 (E_RNA) where: Base-Base interactions energy: -2.833 where: short stacking energy: -2.833 Base-Backbone interact. energy: -0.011 local terms energy: -16.842620 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.540 flat angles P-C4'-P energy: -2.734 tors. eta vs tors. theta energy: -2.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -20.588555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.588555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.588555 (E_RNA) where: Base-Base interactions energy: -7.246 where: short stacking energy: -7.246 Base-Backbone interact. energy: -0.000 local terms energy: -13.342126 where: bonds (distance) C4'-P energy: -2.287 bonds (distance) P-C4' energy: -2.057 flat angles C4'-P-C4' energy: -3.374 flat angles P-C4'-P energy: -3.731 tors. eta vs tors. theta energy: -1.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -23.849507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.849507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.849507 (E_RNA) where: Base-Base interactions energy: -5.915 where: short stacking energy: -5.915 Base-Backbone interact. energy: -0.000 local terms energy: -17.934575 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -2.899 flat angles P-C4'-P energy: -2.618 tors. eta vs tors. theta energy: -3.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -29.931687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.931687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.931687 (E_RNA) where: Base-Base interactions energy: -11.980 where: short stacking energy: -11.980 Base-Backbone interact. energy: -0.000 local terms energy: -17.951867 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.128 flat angles C4'-P-C4' energy: -3.815 flat angles P-C4'-P energy: -0.553 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: 2, replica: 3 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -26.617458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.617458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.617458 (E_RNA) where: Base-Base interactions energy: -9.078 where: short stacking energy: -9.078 Base-Backbone interact. energy: -0.000 local terms energy: -17.539184 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.148 flat angles P-C4'-P energy: -1.963 tors. eta vs tors. theta energy: -2.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -27.862967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.862967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.862967 (E_RNA) where: Base-Base interactions energy: -11.707 where: short stacking energy: -11.707 Base-Backbone interact. energy: -0.000 local terms energy: -16.156093 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -2.606 flat angles C4'-P-C4' energy: -4.206 flat angles P-C4'-P energy: -1.952 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: 4, replica: 10 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -24.145163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.145163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.145163 (E_RNA) where: Base-Base interactions energy: -7.010 where: short stacking energy: -7.010 Base-Backbone interact. energy: -0.032 local terms energy: -17.103220 where: bonds (distance) C4'-P energy: -2.742 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.923 flat angles P-C4'-P energy: -3.463 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: 5, replica: 2 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -24.912959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.912959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.912959 (E_RNA) where: Base-Base interactions energy: -9.164 where: short stacking energy: -9.164 Base-Backbone interact. energy: -0.100 local terms energy: -15.648884 where: bonds (distance) C4'-P energy: -3.451 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.246 flat angles P-C4'-P energy: -2.115 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: 4 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -23.829650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.829650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.829650 (E_RNA) where: Base-Base interactions energy: -6.488 where: short stacking energy: -6.488 Base-Backbone interact. energy: -0.000 local terms energy: -17.342031 where: bonds (distance) C4'-P energy: -4.233 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -4.506 flat angles P-C4'-P energy: -1.194 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: 9 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -26.218855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.218855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.218855 (E_RNA) where: Base-Base interactions energy: -6.655 where: short stacking energy: -6.655 Base-Backbone interact. energy: -0.021 local terms energy: -19.542796 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.307 flat angles P-C4'-P energy: -2.911 tors. eta vs tors. theta energy: -3.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -20.046180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.046180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.046180 (E_RNA) where: Base-Base interactions energy: -3.642 where: short stacking energy: -3.642 Base-Backbone interact. energy: -0.034 local terms energy: -16.369558 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.697 flat angles P-C4'-P energy: -1.755 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: 9, replica: 6 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -23.459834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.459834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.459834 (E_RNA) where: Base-Base interactions energy: -7.575 where: short stacking energy: -7.575 Base-Backbone interact. energy: -0.098 local terms energy: -15.786427 where: bonds (distance) C4'-P energy: -2.920 bonds (distance) P-C4' energy: -3.557 flat angles C4'-P-C4' energy: -3.471 flat angles P-C4'-P energy: -3.460 tors. eta vs tors. theta energy: -2.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -19.624582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.624582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.624582 (E_RNA) where: Base-Base interactions energy: -3.651 where: short stacking energy: -3.651 Base-Backbone interact. energy: -0.001 local terms energy: -15.973127 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.758 flat angles P-C4'-P energy: -2.838 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: 1, replica: 3 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -26.048757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.048757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.048757 (E_RNA) where: Base-Base interactions energy: -8.421 where: short stacking energy: -8.421 Base-Backbone interact. energy: -0.062 local terms energy: -17.566074 where: bonds (distance) C4'-P energy: -2.975 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.140 flat angles P-C4'-P energy: -3.503 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: 2, replica: 1 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -26.057726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.057726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.057726 (E_RNA) where: Base-Base interactions energy: -9.951 where: short stacking energy: -9.951 Base-Backbone interact. energy: -0.084 local terms energy: -16.022597 where: bonds (distance) C4'-P energy: -3.823 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.349 flat angles P-C4'-P energy: -2.726 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: 3, replica: 10 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -28.065982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.065982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.065982 (E_RNA) where: Base-Base interactions energy: -11.766 where: short stacking energy: -11.766 Base-Backbone interact. energy: -0.000 local terms energy: -16.300399 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -1.965 flat angles C4'-P-C4' energy: -4.261 flat angles P-C4'-P energy: -3.106 tors. eta vs tors. theta energy: -2.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -27.383404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.383404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.383404 (E_RNA) where: Base-Base interactions energy: -9.144 where: short stacking energy: -9.144 Base-Backbone interact. energy: -0.000 local terms energy: -18.239115 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -2.211 flat angles P-C4'-P energy: -1.825 tors. eta vs tors. theta energy: -4.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -25.115491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.115491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.115491 (E_RNA) where: Base-Base interactions energy: -8.259 where: short stacking energy: -8.259 Base-Backbone interact. energy: -0.000 local terms energy: -16.856884 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -3.899 flat angles P-C4'-P energy: -2.706 tors. eta vs tors. theta energy: -1.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -22.118314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.118314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.118314 (E_RNA) where: Base-Base interactions energy: -6.569 where: short stacking energy: -6.569 Base-Backbone interact. energy: -0.000 local terms energy: -15.549705 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.257 flat angles P-C4'-P energy: -2.788 tors. eta vs tors. theta energy: 0.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -23.343005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.343005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.343005 (E_RNA) where: Base-Base interactions energy: -6.390 where: short stacking energy: -6.390 Base-Backbone interact. energy: -0.000 local terms energy: -16.953454 where: bonds (distance) C4'-P energy: -1.915 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.647 flat angles P-C4'-P energy: -2.988 tors. eta vs tors. theta energy: -3.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -23.620634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.620634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.620634 (E_RNA) where: Base-Base interactions energy: -4.276 where: short stacking energy: -4.276 Base-Backbone interact. energy: -0.000 local terms energy: -19.344220 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.222 flat angles P-C4'-P energy: -3.063 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: 9, replica: 7 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -24.002799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.002799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.002799 (E_RNA) where: Base-Base interactions energy: -3.015 where: short stacking energy: -3.015 Base-Backbone interact. energy: -0.000 local terms energy: -20.987736 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.129 flat angles P-C4'-P energy: -3.098 tors. eta vs tors. theta energy: -3.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -23.415842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.415842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.415842 (E_RNA) where: Base-Base interactions energy: -8.463 where: short stacking energy: -8.463 Base-Backbone interact. energy: -0.036 local terms energy: -14.916387 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.643 flat angles P-C4'-P energy: -3.787 tors. eta vs tors. theta energy: 1.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -25.820406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.820406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.820406 (E_RNA) where: Base-Base interactions energy: -6.729 where: short stacking energy: -6.729 Base-Backbone interact. energy: -0.006 local terms energy: -19.086134 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.363 flat angles P-C4'-P energy: -4.062 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: 10 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -23.471072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.471072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.471072 (E_RNA) where: Base-Base interactions energy: -6.990 where: short stacking energy: -6.990 Base-Backbone interact. energy: -0.002 local terms energy: -16.478999 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -3.473 flat angles P-C4'-P energy: -3.332 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: 3, replica: 1 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -24.814522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.814522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.814522 (E_RNA) where: Base-Base interactions energy: -9.705 where: short stacking energy: -9.705 Base-Backbone interact. energy: -0.000 local terms energy: -15.109237 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.916 flat angles P-C4'-P energy: -1.723 tors. eta vs tors. theta energy: -1.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -28.404459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.404459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.404459 (E_RNA) where: Base-Base interactions energy: -8.818 where: short stacking energy: -8.818 Base-Backbone interact. energy: -0.000 local terms energy: -19.586481 where: bonds (distance) C4'-P energy: -4.341 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.567 flat angles P-C4'-P energy: -2.306 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: 5, replica: 8 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -22.151061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.151061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.151061 (E_RNA) where: Base-Base interactions energy: -7.091 where: short stacking energy: -7.091 Base-Backbone interact. energy: -0.003 local terms energy: -15.056831 where: bonds (distance) C4'-P energy: -3.487 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.671 flat angles P-C4'-P energy: -2.767 tors. eta vs tors. theta energy: -0.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -21.563126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.563126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.563126 (E_RNA) where: Base-Base interactions energy: -7.909 where: short stacking energy: -7.909 Base-Backbone interact. energy: -0.000 local terms energy: -13.653593 where: bonds (distance) C4'-P energy: -3.264 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -4.080 flat angles P-C4'-P energy: -1.478 tors. eta vs tors. theta energy: 0.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -22.168180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.168180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.168180 (E_RNA) where: Base-Base interactions energy: -7.176 where: short stacking energy: -7.176 Base-Backbone interact. energy: -0.010 local terms energy: -14.982523 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -3.818 flat angles C4'-P-C4' energy: -3.355 flat angles P-C4'-P energy: -3.843 tors. eta vs tors. theta energy: -0.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -21.551904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.551904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.551904 (E_RNA) where: Base-Base interactions energy: -6.556 where: short stacking energy: -6.556 Base-Backbone interact. energy: -0.000 local terms energy: -14.995467 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.316 flat angles P-C4'-P energy: -1.506 tors. eta vs tors. theta energy: -0.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -18.781083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.781083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.781083 (E_RNA) where: Base-Base interactions energy: -6.514 where: short stacking energy: -6.514 Base-Backbone interact. energy: -0.000 local terms energy: -12.266756 where: bonds (distance) C4'-P energy: -2.217 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.998 flat angles P-C4'-P energy: -1.823 tors. eta vs tors. theta energy: 0.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -19.954286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.954286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.954286 (E_RNA) where: Base-Base interactions energy: -2.978 where: short stacking energy: -2.978 Base-Backbone interact. energy: -0.095 local terms energy: -16.881236 where: bonds (distance) C4'-P energy: -3.194 bonds (distance) P-C4' energy: -4.044 flat angles C4'-P-C4' energy: -4.416 flat angles P-C4'-P energy: -3.171 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: 1, replica: 10 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -29.210626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.210626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.210626 (E_RNA) where: Base-Base interactions energy: -10.492 where: short stacking energy: -10.492 Base-Backbone interact. energy: -0.000 local terms energy: -18.718780 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.095 flat angles P-C4'-P energy: -3.070 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: 476 Temperature: 0.950000 Total energy: -26.324725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.324725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.324725 (E_RNA) where: Base-Base interactions energy: -6.627 where: short stacking energy: -6.627 Base-Backbone interact. energy: -0.002 local terms energy: -19.695389 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -3.576 flat angles P-C4'-P energy: -3.631 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: 3, replica: 4 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -28.359303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.359303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.359303 (E_RNA) where: Base-Base interactions energy: -8.109 where: short stacking energy: -8.109 Base-Backbone interact. energy: -0.000 local terms energy: -20.249834 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -4.525 flat angles P-C4'-P energy: -3.683 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: 476 Temperature: 1.050000 Total energy: -22.239647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.239647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.239647 (E_RNA) where: Base-Base interactions energy: -7.662 where: short stacking energy: -7.662 Base-Backbone interact. energy: -0.005 local terms energy: -14.572560 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -1.789 flat angles P-C4'-P energy: -2.734 tors. eta vs tors. theta energy: -1.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -21.834495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.834495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.834495 (E_RNA) where: Base-Base interactions energy: -6.847 where: short stacking energy: -6.847 Base-Backbone interact. energy: -0.004 local terms energy: -14.983703 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -1.826 flat angles P-C4'-P energy: -3.824 tors. eta vs tors. theta energy: -0.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -22.200313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.200313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.200313 (E_RNA) where: Base-Base interactions energy: -5.642 where: short stacking energy: -5.642 Base-Backbone interact. energy: -0.000 local terms energy: -16.558186 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.436 flat angles P-C4'-P energy: -1.432 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: 7, replica: 7 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -23.186507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.186507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.186507 (E_RNA) where: Base-Base interactions energy: -6.367 where: short stacking energy: -6.367 Base-Backbone interact. energy: -0.000 local terms energy: -16.819387 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.328 flat angles P-C4'-P energy: -1.281 tors. eta vs tors. theta energy: -1.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -20.519490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.519490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.519490 (E_RNA) where: Base-Base interactions energy: -2.998 where: short stacking energy: -2.998 Base-Backbone interact. energy: -0.000 local terms energy: -17.521232 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.456 flat angles P-C4'-P energy: -1.422 tors. eta vs tors. theta energy: -2.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -20.172981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.172981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.172981 (E_RNA) where: Base-Base interactions energy: -3.780 where: short stacking energy: -3.780 Base-Backbone interact. energy: -0.000 local terms energy: -16.392587 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.716 flat angles P-C4'-P energy: -1.298 tors. eta vs tors. theta energy: -1.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -21.775078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.775078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.775078 (E_RNA) where: Base-Base interactions energy: -5.248 where: short stacking energy: -5.248 Base-Backbone interact. energy: -0.002 local terms energy: -16.525134 where: bonds (distance) C4'-P energy: -2.494 bonds (distance) P-C4' energy: -4.051 flat angles C4'-P-C4' energy: -4.436 flat angles P-C4'-P energy: -3.850 tors. eta vs tors. theta energy: -1.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -31.420663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.420663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.420663 (E_RNA) where: Base-Base interactions energy: -11.166 where: short stacking energy: -11.166 Base-Backbone interact. energy: 0.156 local terms energy: -20.410029 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.011 flat angles P-C4'-P energy: -3.184 tors. eta vs tors. theta energy: -3.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -29.006185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.006185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.006185 (E_RNA) where: Base-Base interactions energy: -11.956 where: short stacking energy: -11.956 Base-Backbone interact. energy: -0.000 local terms energy: -17.049947 where: bonds (distance) C4'-P energy: -3.206 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.379 flat angles P-C4'-P energy: -0.307 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: 3, replica: 3 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -30.405695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.405695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.405695 (E_RNA) where: Base-Base interactions energy: -11.443 where: short stacking energy: -11.443 Base-Backbone interact. energy: -0.000 local terms energy: -18.963134 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.027 flat angles P-C4'-P energy: -3.437 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: 4, replica: 8 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -23.692938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.692938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.692938 (E_RNA) where: Base-Base interactions energy: -7.345 where: short stacking energy: -7.345 Base-Backbone interact. energy: -0.000 local terms energy: -16.347858 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.466 flat angles P-C4'-P energy: -2.074 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: 5, replica: 1 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -23.692970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.692970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.692970 (E_RNA) where: Base-Base interactions energy: -7.876 where: short stacking energy: -7.876 Base-Backbone interact. energy: -0.002 local terms energy: -15.815931 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -0.456 flat angles P-C4'-P energy: -3.795 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: 6, replica: 7 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -23.117347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.117347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.117347 (E_RNA) where: Base-Base interactions energy: -6.114 where: short stacking energy: -6.114 Base-Backbone interact. energy: -0.001 local terms energy: -17.001822 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -2.997 flat angles P-C4'-P energy: -3.747 tors. eta vs tors. theta energy: -1.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -25.699736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.699736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.699736 (E_RNA) where: Base-Base interactions energy: -8.520 where: short stacking energy: -8.520 Base-Backbone interact. energy: -0.011 local terms energy: -17.168758 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.305 flat angles P-C4'-P energy: -2.535 tors. eta vs tors. theta energy: -1.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -27.114342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.114342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.114342 (E_RNA) where: Base-Base interactions energy: -8.077 where: short stacking energy: -8.095 Base-Backbone interact. energy: -0.000 local terms energy: -19.037746 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -3.747 flat angles P-C4'-P energy: -2.989 tors. eta vs tors. theta energy: -3.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -22.501532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.501532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.501532 (E_RNA) where: Base-Base interactions energy: -8.398 where: short stacking energy: -8.398 Base-Backbone interact. energy: -0.000 local terms energy: -14.103329 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -4.064 flat angles P-C4'-P energy: -1.471 tors. eta vs tors. theta energy: -0.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -19.872615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.872615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.872615 (E_RNA) where: Base-Base interactions energy: -5.738 where: short stacking energy: -5.738 Base-Backbone interact. energy: -0.077 local terms energy: -14.058011 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -2.415 flat angles P-C4'-P energy: -2.499 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: 4 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -28.004671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.004671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.004671 (E_RNA) where: Base-Base interactions energy: -12.116 where: short stacking energy: -12.116 Base-Backbone interact. energy: -0.000 local terms energy: -15.889099 where: bonds (distance) C4'-P energy: -2.387 bonds (distance) P-C4' energy: -4.051 flat angles C4'-P-C4' energy: -4.027 flat angles P-C4'-P energy: -2.137 tors. eta vs tors. theta energy: -3.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -25.969087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.969087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.969087 (E_RNA) where: Base-Base interactions energy: -7.750 where: short stacking energy: -7.750 Base-Backbone interact. energy: -0.003 local terms energy: -18.216020 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.557 flat angles P-C4'-P energy: -2.980 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: 3, replica: 8 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -25.428463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.428463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.428463 (E_RNA) where: Base-Base interactions energy: -8.288 where: short stacking energy: -8.288 Base-Backbone interact. energy: -0.000 local terms energy: -17.140811 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.261 flat angles P-C4'-P energy: -1.377 tors. eta vs tors. theta energy: -2.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -27.637381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.637381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.637381 (E_RNA) where: Base-Base interactions energy: -11.672 where: short stacking energy: -11.672 Base-Backbone interact. energy: -0.000 local terms energy: -15.965798 where: bonds (distance) C4'-P energy: -3.823 bonds (distance) P-C4' energy: -2.863 flat angles C4'-P-C4' energy: -4.337 flat angles P-C4'-P energy: -1.914 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: 5, replica: 7 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -23.691364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.691364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.691364 (E_RNA) where: Base-Base interactions energy: -7.706 where: short stacking energy: -7.706 Base-Backbone interact. energy: -0.045 local terms energy: -15.940207 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -4.153 flat angles P-C4'-P energy: -2.568 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: 1 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -23.761031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.761031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.761031 (E_RNA) where: Base-Base interactions energy: -8.627 where: short stacking energy: -8.627 Base-Backbone interact. energy: -0.001 local terms energy: -15.132610 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.575 flat angles C4'-P-C4' energy: -1.354 flat angles P-C4'-P energy: -2.885 tors. eta vs tors. theta energy: -1.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -27.677184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.677184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.677184 (E_RNA) where: Base-Base interactions energy: -7.077 where: short stacking energy: -7.077 Base-Backbone interact. energy: -0.000 local terms energy: -20.600455 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.152 flat angles C4'-P-C4' energy: -4.559 flat angles P-C4'-P energy: -3.241 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: 8, replica: 5 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -26.797138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.797138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.797138 (E_RNA) where: Base-Base interactions energy: -6.949 where: short stacking energy: -6.949 Base-Backbone interact. energy: -0.000 local terms energy: -19.848018 where: bonds (distance) C4'-P energy: -3.575 bonds (distance) P-C4' energy: -4.103 flat angles C4'-P-C4' energy: -3.756 flat angles P-C4'-P energy: -3.921 tors. eta vs tors. theta energy: -4.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -19.705083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.705083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.705083 (E_RNA) where: Base-Base interactions energy: -4.764 where: short stacking energy: -4.764 Base-Backbone interact. energy: -0.000 local terms energy: -14.940948 where: bonds (distance) C4'-P energy: -2.271 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.585 flat angles P-C4'-P energy: -3.835 tors. eta vs tors. theta energy: 0.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -21.219113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.219113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.219113 (E_RNA) where: Base-Base interactions energy: -4.161 where: short stacking energy: -4.161 Base-Backbone interact. energy: -0.089 local terms energy: -16.968284 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.451 flat angles P-C4'-P energy: -3.410 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: 1, replica: 4 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -29.390362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.390362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.390362 (E_RNA) where: Base-Base interactions energy: -10.822 where: short stacking energy: -10.822 Base-Backbone interact. energy: -0.000 local terms energy: -18.567886 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -4.420 flat angles C4'-P-C4' energy: -3.489 flat angles P-C4'-P energy: -3.884 tors. eta vs tors. theta energy: -3.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -24.926583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.926583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.926583 (E_RNA) where: Base-Base interactions energy: -7.365 where: short stacking energy: -7.365 Base-Backbone interact. energy: -0.000 local terms energy: -17.562052 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.345 flat angles P-C4'-P energy: -2.576 tors. eta vs tors. theta energy: -1.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -25.082553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.082553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.082553 (E_RNA) where: Base-Base interactions energy: -7.200 where: short stacking energy: -7.200 Base-Backbone interact. energy: -0.027 local terms energy: -17.854717 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.678 flat angles C4'-P-C4' energy: -2.992 flat angles P-C4'-P energy: -3.921 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: 7 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -25.746469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.746469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.746469 (E_RNA) where: Base-Base interactions energy: -9.054 where: short stacking energy: -9.198 Base-Backbone interact. energy: -0.000 local terms energy: -16.692067 where: bonds (distance) C4'-P energy: -2.918 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.433 flat angles P-C4'-P energy: -2.355 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: 5, replica: 3 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -23.118672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.118672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.118672 (E_RNA) where: Base-Base interactions energy: -7.092 where: short stacking energy: -7.092 Base-Backbone interact. energy: -0.000 local terms energy: -16.026740 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -2.798 flat angles P-C4'-P energy: -2.064 tors. eta vs tors. theta energy: -2.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -22.974640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.974640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.974640 (E_RNA) where: Base-Base interactions energy: -6.782 where: short stacking energy: -6.782 Base-Backbone interact. energy: -0.093 local terms energy: -16.099830 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -3.811 flat angles C4'-P-C4' energy: -3.537 flat angles P-C4'-P energy: -2.967 tors. eta vs tors. theta energy: -1.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -20.808885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.808885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.808885 (E_RNA) where: Base-Base interactions energy: -5.975 where: short stacking energy: -5.182 Base-Backbone interact. energy: -0.003 local terms energy: -14.830916 where: bonds (distance) C4'-P energy: -3.070 bonds (distance) P-C4' energy: -3.708 flat angles C4'-P-C4' energy: -4.244 flat angles P-C4'-P energy: -3.154 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: 9 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -25.206499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.206499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.206499 (E_RNA) where: Base-Base interactions energy: -7.950 where: short stacking energy: -7.950 Base-Backbone interact. energy: -0.000 local terms energy: -17.256118 where: bonds (distance) C4'-P energy: -3.301 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.751 flat angles P-C4'-P energy: -2.296 tors. eta vs tors. theta energy: -2.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -20.330651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.330651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.330651 (E_RNA) where: Base-Base interactions energy: -4.508 where: short stacking energy: -4.508 Base-Backbone interact. energy: -0.027 local terms energy: -15.795339 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -3.191 flat angles P-C4'-P energy: -2.872 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: 10, replica: 2 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -22.207389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.207389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.207389 (E_RNA) where: Base-Base interactions energy: -2.558 where: short stacking energy: -2.558 Base-Backbone interact. energy: -0.000 local terms energy: -19.649151 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.854 flat angles P-C4'-P energy: -3.663 tors. eta vs tors. theta energy: -2.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -26.185711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.185711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.185711 (E_RNA) where: Base-Base interactions energy: -7.391 where: short stacking energy: -7.391 Base-Backbone interact. energy: -0.095 local terms energy: -18.700047 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.245 flat angles P-C4'-P energy: -3.768 tors. eta vs tors. theta energy: -2.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -28.605281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.605281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.605281 (E_RNA) where: Base-Base interactions energy: -11.056 where: short stacking energy: -11.056 Base-Backbone interact. energy: -0.013 local terms energy: -17.535973 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.736 flat angles P-C4'-P energy: -3.517 tors. eta vs tors. theta energy: -1.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -23.934585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.934585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.934585 (E_RNA) where: Base-Base interactions energy: -8.302 where: short stacking energy: -8.302 Base-Backbone interact. energy: -0.009 local terms energy: -15.623474 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.388 flat angles P-C4'-P energy: -2.683 tors. eta vs tors. theta energy: -1.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -21.645454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.645454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.645454 (E_RNA) where: Base-Base interactions energy: -6.142 where: short stacking energy: -6.142 Base-Backbone interact. energy: -0.056 local terms energy: -15.447099 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.072 flat angles P-C4'-P energy: -3.636 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: 5, replica: 6 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -21.055491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.055491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.055491 (E_RNA) where: Base-Base interactions energy: -4.106 where: short stacking energy: -4.106 Base-Backbone interact. energy: -0.000 local terms energy: -16.949170 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -3.637 flat angles P-C4'-P energy: -2.137 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: 6, replica: 3 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -25.318132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.318132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.318132 (E_RNA) where: Base-Base interactions energy: -6.402 where: short stacking energy: -6.402 Base-Backbone interact. energy: 0.083 local terms energy: -18.999093 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.916 flat angles P-C4'-P energy: -2.966 tors. eta vs tors. theta energy: -2.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -22.255815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.255815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.255815 (E_RNA) where: Base-Base interactions energy: -7.100 where: short stacking energy: -7.100 Base-Backbone interact. energy: -0.000 local terms energy: -15.156019 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -3.128 flat angles C4'-P-C4' energy: -2.152 flat angles P-C4'-P energy: -3.055 tors. eta vs tors. theta energy: -2.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -27.403839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.403839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.403839 (E_RNA) where: Base-Base interactions energy: -11.089 where: short stacking energy: -11.089 Base-Backbone interact. energy: -0.000 local terms energy: -16.314366 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -3.984 flat angles C4'-P-C4' energy: -3.924 flat angles P-C4'-P energy: -1.725 tors. eta vs tors. theta energy: -2.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -24.106477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.106477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.106477 (E_RNA) where: Base-Base interactions energy: -8.145 where: short stacking energy: -8.145 Base-Backbone interact. energy: -0.022 local terms energy: -15.939279 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.623 flat angles P-C4'-P energy: -2.208 tors. eta vs tors. theta energy: -1.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -22.469529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.469529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.469529 (E_RNA) where: Base-Base interactions energy: -6.972 where: short stacking energy: -6.972 Base-Backbone interact. energy: -0.000 local terms energy: -15.497825 where: bonds (distance) C4'-P energy: -2.812 bonds (distance) P-C4' energy: -4.051 flat angles C4'-P-C4' energy: -3.267 flat angles P-C4'-P energy: -3.191 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: 1, replica: 8 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -28.771817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.771817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.771817 (E_RNA) where: Base-Base interactions energy: -7.748 where: short stacking energy: -7.748 Base-Backbone interact. energy: -0.000 local terms energy: -21.023462 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.487 flat angles P-C4'-P energy: -3.057 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: 7 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -26.620799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.620799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.620799 (E_RNA) where: Base-Base interactions energy: -11.314 where: short stacking energy: -11.314 Base-Backbone interact. energy: -0.000 local terms energy: -15.306767 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -3.636 flat angles P-C4'-P energy: -1.672 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: 3, replica: 4 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -25.391415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.391415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.391415 (E_RNA) where: Base-Base interactions energy: -7.595 where: short stacking energy: -7.595 Base-Backbone interact. energy: -0.000 local terms energy: -17.796546 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -3.966 flat angles P-C4'-P energy: -2.708 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: 6 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -25.250326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.250326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.250326 (E_RNA) where: Base-Base interactions energy: -10.377 where: short stacking energy: -10.377 Base-Backbone interact. energy: -0.000 local terms energy: -14.873119 where: bonds (distance) C4'-P energy: -3.161 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.200 flat angles P-C4'-P energy: -1.335 tors. eta vs tors. theta energy: -2.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -25.047485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.047485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.047485 (E_RNA) where: Base-Base interactions energy: -7.035 where: short stacking energy: -7.035 Base-Backbone interact. energy: -0.000 local terms energy: -18.012531 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -2.967 flat angles P-C4'-P energy: -3.211 tors. eta vs tors. theta energy: -3.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -21.517713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.517713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.517713 (E_RNA) where: Base-Base interactions energy: -6.857 where: short stacking energy: -6.857 Base-Backbone interact. energy: -0.000 local terms energy: -14.660730 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -3.811 flat angles C4'-P-C4' energy: -4.138 flat angles P-C4'-P energy: -2.807 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: 3 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -22.838196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.838196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.838196 (E_RNA) where: Base-Base interactions energy: -7.986 where: short stacking energy: -7.986 Base-Backbone interact. energy: -0.000 local terms energy: -14.851813 where: bonds (distance) C4'-P energy: -2.415 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -3.035 flat angles P-C4'-P energy: -2.541 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: 8, replica: 2 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -20.581109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.581109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.581109 (E_RNA) where: Base-Base interactions energy: -5.124 where: short stacking energy: -5.124 Base-Backbone interact. energy: -0.045 local terms energy: -15.411672 where: bonds (distance) C4'-P energy: -2.920 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.957 flat angles P-C4'-P energy: -2.476 tors. eta vs tors. theta energy: -0.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -21.421480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.421480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.421480 (E_RNA) where: Base-Base interactions energy: -7.751 where: short stacking energy: -7.751 Base-Backbone interact. energy: -0.000 local terms energy: -13.670242 where: bonds (distance) C4'-P energy: -3.024 bonds (distance) P-C4' energy: -4.051 flat angles C4'-P-C4' energy: -4.555 flat angles P-C4'-P energy: -2.789 tors. eta vs tors. theta energy: 0.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -21.846499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.846499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.846499 (E_RNA) where: Base-Base interactions energy: -1.432 where: short stacking energy: -1.432 Base-Backbone interact. energy: -0.000 local terms energy: -20.414933 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.173 flat angles P-C4'-P energy: -3.305 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: 1, replica: 7 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -29.479214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.479214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.479214 (E_RNA) where: Base-Base interactions energy: -9.890 where: short stacking energy: -9.890 Base-Backbone interact. energy: -0.000 local terms energy: -19.589343 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.623 flat angles P-C4'-P energy: -3.277 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: 2, replica: 8 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -22.994824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.994824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.994824 (E_RNA) where: Base-Base interactions energy: -8.656 where: short stacking energy: -8.656 Base-Backbone interact. energy: -0.114 local terms energy: -14.225119 where: bonds (distance) C4'-P energy: -2.503 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.745 flat angles P-C4'-P energy: -3.045 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: 3, replica: 6 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -26.958047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.958047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.958047 (E_RNA) where: Base-Base interactions energy: -6.783 where: short stacking energy: -6.783 Base-Backbone interact. energy: -0.000 local terms energy: -20.175140 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.238 flat angles P-C4'-P energy: -3.491 tors. eta vs tors. theta energy: -2.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -27.611442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.611442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.611442 (E_RNA) where: Base-Base interactions energy: -8.204 where: short stacking energy: -8.204 Base-Backbone interact. energy: -0.000 local terms energy: -19.407649 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -3.864 flat angles P-C4'-P energy: -3.532 tors. eta vs tors. theta energy: -3.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -23.200364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.200364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.200364 (E_RNA) where: Base-Base interactions energy: -6.637 where: short stacking energy: -6.637 Base-Backbone interact. energy: -0.000 local terms energy: -16.563844 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -3.984 flat angles C4'-P-C4' energy: -2.113 flat angles P-C4'-P energy: -2.459 tors. eta vs tors. theta energy: -3.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -23.965457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.965457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.965457 (E_RNA) where: Base-Base interactions energy: -7.721 where: short stacking energy: -7.721 Base-Backbone interact. energy: -0.000 local terms energy: -16.244561 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -3.626 flat angles P-C4'-P energy: -3.000 tors. eta vs tors. theta energy: -1.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -27.644490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.644490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.644490 (E_RNA) where: Base-Base interactions energy: -10.048 where: short stacking energy: -10.048 Base-Backbone interact. energy: -0.000 local terms energy: -17.596751 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.220 flat angles P-C4'-P energy: -1.827 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: 8, replica: 3 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -25.426042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.426042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.426042 (E_RNA) where: Base-Base interactions energy: -8.392 where: short stacking energy: -8.392 Base-Backbone interact. energy: -0.082 local terms energy: -16.952534 where: bonds (distance) C4'-P energy: -3.861 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.379 flat angles P-C4'-P energy: -2.550 tors. eta vs tors. theta energy: -0.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -30.219918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.219918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.219918 (E_RNA) where: Base-Base interactions energy: -11.868 where: short stacking energy: -11.868 Base-Backbone interact. energy: -0.000 local terms energy: -18.352184 where: bonds (distance) C4'-P energy: -2.556 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -3.317 flat angles P-C4'-P energy: -2.761 tors. eta vs tors. theta energy: -4.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -21.847589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.847589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.847589 (E_RNA) where: Base-Base interactions energy: -7.140 where: short stacking energy: -7.140 Base-Backbone interact. energy: -0.024 local terms energy: -14.683456 where: bonds (distance) C4'-P energy: -1.480 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.540 flat angles P-C4'-P energy: -3.417 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: 7 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -30.221092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.221092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.221092 (E_RNA) where: Base-Base interactions energy: -12.057 where: short stacking energy: -12.057 Base-Backbone interact. energy: -0.006 local terms energy: -18.158795 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -3.775 flat angles P-C4'-P energy: -3.012 tors. eta vs tors. theta energy: -3.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -25.535435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.535435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.535435 (E_RNA) where: Base-Base interactions energy: -7.147 where: short stacking energy: -7.147 Base-Backbone interact. energy: -0.000 local terms energy: -18.387973 where: bonds (distance) C4'-P energy: -2.768 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.572 flat angles P-C4'-P energy: -3.363 tors. eta vs tors. theta energy: -2.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -29.661349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.661349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.661349 (E_RNA) where: Base-Base interactions energy: -11.106 where: short stacking energy: -11.106 Base-Backbone interact. energy: -0.000 local terms energy: -18.555147 where: bonds (distance) C4'-P energy: -4.171 bonds (distance) P-C4' energy: -3.643 flat angles C4'-P-C4' energy: -3.884 flat angles P-C4'-P energy: -3.043 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: 4, replica: 4 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -26.356263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.356263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.356263 (E_RNA) where: Base-Base interactions energy: -6.813 where: short stacking energy: -6.813 Base-Backbone interact. energy: -0.000 local terms energy: -19.543061 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.500 flat angles P-C4'-P energy: -3.587 tors. eta vs tors. theta energy: -3.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -25.242505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.242505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.242505 (E_RNA) where: Base-Base interactions energy: -9.002 where: short stacking energy: -9.002 Base-Backbone interact. energy: -0.000 local terms energy: -16.239954 where: bonds (distance) C4'-P energy: -1.632 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.309 flat angles P-C4'-P energy: -3.873 tors. eta vs tors. theta energy: -1.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -23.465904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.465904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.465904 (E_RNA) where: Base-Base interactions energy: -5.684 where: short stacking energy: -5.684 Base-Backbone interact. energy: -0.715 local terms energy: -17.066670 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.436 flat angles P-C4'-P energy: -2.483 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: 7, replica: 2 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -23.473774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.473774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.473774 (E_RNA) where: Base-Base interactions energy: -6.882 where: short stacking energy: -6.882 Base-Backbone interact. energy: -0.000 local terms energy: -16.592247 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.449 flat angles P-C4'-P energy: -2.937 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: 8, replica: 3 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -21.349173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.349173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.349173 (E_RNA) where: Base-Base interactions energy: -4.083 where: short stacking energy: -4.249 Base-Backbone interact. energy: -0.000 local terms energy: -17.266268 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -2.851 flat angles P-C4'-P energy: -2.449 tors. eta vs tors. theta energy: -3.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -21.258826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.258826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.258826 (E_RNA) where: Base-Base interactions energy: -6.632 where: short stacking energy: -6.632 Base-Backbone interact. energy: -0.000 local terms energy: -14.626988 where: bonds (distance) C4'-P energy: -2.859 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.510 flat angles P-C4'-P energy: 0.449 tors. eta vs tors. theta energy: -2.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -24.636829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.636829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.636829 (E_RNA) where: Base-Base interactions energy: -7.211 where: short stacking energy: -7.211 Base-Backbone interact. energy: -0.007 local terms energy: -17.418861 where: bonds (distance) C4'-P energy: -3.053 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -4.784 flat angles P-C4'-P energy: -1.649 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: 1, replica: 6 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -25.207976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.207976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.207976 (E_RNA) where: Base-Base interactions energy: -6.879 where: short stacking energy: -6.879 Base-Backbone interact. energy: -0.956 local terms energy: -17.372811 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -5.365 flat angles C4'-P-C4' energy: -4.189 flat angles P-C4'-P energy: -3.155 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: 2, replica: 7 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -24.787207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.787207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.787207 (E_RNA) where: Base-Base interactions energy: -7.456 where: short stacking energy: -7.456 Base-Backbone interact. energy: -0.000 local terms energy: -17.331492 where: bonds (distance) C4'-P energy: -3.036 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.997 flat angles P-C4'-P energy: -3.124 tors. eta vs tors. theta energy: -1.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -27.411391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.411391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.411391 (E_RNA) where: Base-Base interactions energy: -8.029 where: short stacking energy: -8.029 Base-Backbone interact. energy: -0.000 local terms energy: -19.382087 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.975 flat angles P-C4'-P energy: -2.377 tors. eta vs tors. theta energy: -3.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -26.051635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.051635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.051635 (E_RNA) where: Base-Base interactions energy: -7.492 where: short stacking energy: -7.492 Base-Backbone interact. energy: -0.002 local terms energy: -18.557865 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.698 flat angles P-C4'-P energy: -2.488 tors. eta vs tors. theta energy: -1.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -26.239170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.239170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.239170 (E_RNA) where: Base-Base interactions energy: -8.268 where: short stacking energy: -8.268 Base-Backbone interact. energy: -0.000 local terms energy: -17.971319 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.273 flat angles P-C4'-P energy: -2.796 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: 6, replica: 9 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -24.234374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.234374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.234374 (E_RNA) where: Base-Base interactions energy: -10.583 where: short stacking energy: -10.821 Base-Backbone interact. energy: -0.853 local terms energy: -12.798314 where: bonds (distance) C4'-P energy: -1.782 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -2.402 flat angles P-C4'-P energy: -1.387 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: 7, replica: 3 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -25.471874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.471874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.471874 (E_RNA) where: Base-Base interactions energy: -8.214 where: short stacking energy: -8.214 Base-Backbone interact. energy: -0.003 local terms energy: -17.255640 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -2.799 flat angles P-C4'-P energy: -2.808 tors. eta vs tors. theta energy: -3.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -22.727225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.727225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.727225 (E_RNA) where: Base-Base interactions energy: -7.563 where: short stacking energy: -7.563 Base-Backbone interact. energy: -0.100 local terms energy: -15.063425 where: bonds (distance) C4'-P energy: -3.161 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -3.287 flat angles P-C4'-P energy: -3.214 tors. eta vs tors. theta energy: -1.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -17.988095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.988095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.988095 (E_RNA) where: Base-Base interactions energy: -4.081 where: short stacking energy: -4.081 Base-Backbone interact. energy: -0.051 local terms energy: -13.856084 where: bonds (distance) C4'-P energy: -3.645 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -4.261 flat angles P-C4'-P energy: -3.071 tors. eta vs tors. theta energy: 1.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -20.782457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.782457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.782457 (E_RNA) where: Base-Base interactions energy: -4.464 where: short stacking energy: -4.464 Base-Backbone interact. energy: -0.000 local terms energy: -16.318577 where: bonds (distance) C4'-P energy: -4.171 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -4.614 flat angles P-C4'-P energy: -2.524 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: 6 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -26.314248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.314248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.314248 (E_RNA) where: Base-Base interactions energy: -11.859 where: short stacking energy: -11.859 Base-Backbone interact. energy: -0.005 local terms energy: -14.449964 where: bonds (distance) C4'-P energy: -3.459 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -3.581 flat angles P-C4'-P energy: -2.929 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: 2, replica: 7 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -27.690570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.690570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.690570 (E_RNA) where: Base-Base interactions energy: -7.857 where: short stacking energy: -7.857 Base-Backbone interact. energy: -0.000 local terms energy: -19.833361 where: bonds (distance) C4'-P energy: -3.273 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.681 flat angles P-C4'-P energy: -3.523 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: 3, replica: 4 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -27.501744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.501744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.501744 (E_RNA) where: Base-Base interactions energy: -8.887 where: short stacking energy: -8.887 Base-Backbone interact. energy: -0.000 local terms energy: -18.614535 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -4.306 flat angles P-C4'-P energy: -4.024 tors. eta vs tors. theta energy: -1.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -25.522488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.522488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.522488 (E_RNA) where: Base-Base interactions energy: -7.753 where: short stacking energy: -7.753 Base-Backbone interact. energy: -0.000 local terms energy: -17.769394 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.383 flat angles P-C4'-P energy: -2.958 tors. eta vs tors. theta energy: -1.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -21.147176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.147176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.147176 (E_RNA) where: Base-Base interactions energy: -6.138 where: short stacking energy: -6.138 Base-Backbone interact. energy: -0.000 local terms energy: -15.008776 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.686 flat angles P-C4'-P energy: -3.460 tors. eta vs tors. theta energy: 0.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -23.004686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.004686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.004686 (E_RNA) where: Base-Base interactions energy: -4.464 where: short stacking energy: -4.464 Base-Backbone interact. energy: -0.005 local terms energy: -18.535194 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.640 flat angles P-C4'-P energy: -3.587 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: 9 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -23.718250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.718250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.718250 (E_RNA) where: Base-Base interactions energy: -7.256 where: short stacking energy: -7.256 Base-Backbone interact. energy: -0.000 local terms energy: -16.462681 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.839 flat angles C4'-P-C4' energy: -2.751 flat angles P-C4'-P energy: -3.363 tors. eta vs tors. theta energy: -1.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -21.563585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.563585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.563585 (E_RNA) where: Base-Base interactions energy: -5.962 where: short stacking energy: -5.962 Base-Backbone interact. energy: -0.002 local terms energy: -15.599551 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.010 flat angles P-C4'-P energy: -1.001 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: 9, replica: 2 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -20.506156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.506156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.506156 (E_RNA) where: Base-Base interactions energy: -7.383 where: short stacking energy: -7.383 Base-Backbone interact. energy: -0.009 local terms energy: -13.114245 where: bonds (distance) C4'-P energy: -1.198 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.030 flat angles P-C4'-P energy: -1.629 tors. eta vs tors. theta energy: -1.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -20.310719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.310719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.310719 (E_RNA) where: Base-Base interactions energy: -3.990 where: short stacking energy: -3.990 Base-Backbone interact. energy: -0.008 local terms energy: -16.312323 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.425 flat angles P-C4'-P energy: -3.460 tors. eta vs tors. theta energy: -1.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -28.323983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.323983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.323983 (E_RNA) where: Base-Base interactions energy: -7.898 where: short stacking energy: -7.898 Base-Backbone interact. energy: -0.000 local terms energy: -20.425524 where: bonds (distance) C4'-P energy: -3.897 bonds (distance) P-C4' energy: -3.751 flat angles C4'-P-C4' energy: -4.536 flat angles P-C4'-P energy: -3.987 tors. eta vs tors. theta energy: -4.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -25.452737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.452737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.452737 (E_RNA) where: Base-Base interactions energy: -6.322 where: short stacking energy: -6.346 Base-Backbone interact. energy: -0.083 local terms energy: -19.047896 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.000 flat angles P-C4'-P energy: -3.899 tors. eta vs tors. theta energy: -2.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -24.216474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.216474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.216474 (E_RNA) where: Base-Base interactions energy: -11.092 where: short stacking energy: -11.092 Base-Backbone interact. energy: -0.000 local terms energy: -13.124379 where: bonds (distance) C4'-P energy: -2.788 bonds (distance) P-C4' energy: -3.103 flat angles C4'-P-C4' energy: -2.938 flat angles P-C4'-P energy: -1.538 tors. eta vs tors. theta energy: -2.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -25.255273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.255273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.255273 (E_RNA) where: Base-Base interactions energy: -6.514 where: short stacking energy: -6.514 Base-Backbone interact. energy: -0.000 local terms energy: -18.741307 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.044 flat angles P-C4'-P energy: -1.759 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: 5, replica: 3 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -22.332345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.332345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.332345 (E_RNA) where: Base-Base interactions energy: -7.551 where: short stacking energy: -7.551 Base-Backbone interact. energy: -0.000 local terms energy: -14.780932 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -2.000 flat angles C4'-P-C4' energy: -4.114 flat angles P-C4'-P energy: -0.137 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: 6, replica: 8 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -22.054349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.054349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.054349 (E_RNA) where: Base-Base interactions energy: -6.677 where: short stacking energy: -6.677 Base-Backbone interact. energy: -0.000 local terms energy: -15.376937 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.276 flat angles P-C4'-P energy: -1.911 tors. eta vs tors. theta energy: -0.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -23.824926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.824926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.824926 (E_RNA) where: Base-Base interactions energy: -7.117 where: short stacking energy: -7.117 Base-Backbone interact. energy: -0.000 local terms energy: -16.708288 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.452 flat angles P-C4'-P energy: -2.960 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: 9 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -22.936177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.936177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.936177 (E_RNA) where: Base-Base interactions energy: -6.993 where: short stacking energy: -6.993 Base-Backbone interact. energy: -0.100 local terms energy: -15.842873 where: bonds (distance) C4'-P energy: -1.898 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.642 flat angles P-C4'-P energy: -2.455 tors. eta vs tors. theta energy: -1.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -22.018205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.018205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.018205 (E_RNA) where: Base-Base interactions energy: -3.476 where: short stacking energy: -3.476 Base-Backbone interact. energy: -0.002 local terms energy: -18.539930 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -3.699 flat angles P-C4'-P energy: -3.880 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: 2 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -27.161587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.161587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.161587 (E_RNA) where: Base-Base interactions energy: -8.981 where: short stacking energy: -8.981 Base-Backbone interact. energy: -0.000 local terms energy: -18.180898 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -4.256 flat angles P-C4'-P energy: -2.356 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: 1, replica: 7 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -28.466633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.466633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.466633 (E_RNA) where: Base-Base interactions energy: -10.323 where: short stacking energy: -10.323 Base-Backbone interact. energy: -0.000 local terms energy: -18.143334 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -4.592 flat angles P-C4'-P energy: -2.936 tors. eta vs tors. theta energy: -1.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -29.862760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.862760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.862760 (E_RNA) where: Base-Base interactions energy: -8.263 where: short stacking energy: -8.263 Base-Backbone interact. energy: -0.000 local terms energy: -21.599800 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.648 flat angles P-C4'-P energy: -2.522 tors. eta vs tors. theta energy: -4.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -27.733024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.733024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.733024 (E_RNA) where: Base-Base interactions energy: -9.817 where: short stacking energy: -9.817 Base-Backbone interact. energy: -0.000 local terms energy: -17.916096 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.875 flat angles P-C4'-P energy: -2.312 tors. eta vs tors. theta energy: -1.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -24.897161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.897161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.897161 (E_RNA) where: Base-Base interactions energy: -12.244 where: short stacking energy: -12.244 Base-Backbone interact. energy: -0.000 local terms energy: -12.653364 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.078 flat angles C4'-P-C4' energy: -2.837 flat angles P-C4'-P energy: -2.341 tors. eta vs tors. theta energy: 0.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -23.585170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.585170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.585170 (E_RNA) where: Base-Base interactions energy: -7.398 where: short stacking energy: -7.398 Base-Backbone interact. energy: -0.000 local terms energy: -16.187095 where: bonds (distance) C4'-P energy: -3.152 bonds (distance) P-C4' energy: -3.790 flat angles C4'-P-C4' energy: -4.727 flat angles P-C4'-P energy: -3.524 tors. eta vs tors. theta energy: -0.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -21.641852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.641852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.641852 (E_RNA) where: Base-Base interactions energy: -6.029 where: short stacking energy: -6.029 Base-Backbone interact. energy: -0.000 local terms energy: -15.612752 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.061 flat angles P-C4'-P energy: -1.393 tors. eta vs tors. theta energy: -0.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -28.401895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.401895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.401895 (E_RNA) where: Base-Base interactions energy: -8.989 where: short stacking energy: -8.989 Base-Backbone interact. energy: -0.000 local terms energy: -19.413220 where: bonds (distance) C4'-P energy: -2.812 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.187 flat angles P-C4'-P energy: -3.928 tors. eta vs tors. theta energy: -3.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -25.079879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.079879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.079879 (E_RNA) where: Base-Base interactions energy: -6.959 where: short stacking energy: -6.959 Base-Backbone interact. energy: -0.000 local terms energy: -18.120545 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -2.885 flat angles P-C4'-P energy: -2.421 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: 9, replica: 9 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -20.756993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.756993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.756993 (E_RNA) where: Base-Base interactions energy: -3.483 where: short stacking energy: -3.483 Base-Backbone interact. energy: -0.085 local terms energy: -17.189470 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.325 flat angles P-C4'-P energy: -3.404 tors. eta vs tors. theta energy: 0.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -22.426985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.426985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.426985 (E_RNA) where: Base-Base interactions energy: -4.329 where: short stacking energy: -4.329 Base-Backbone interact. energy: -0.007 local terms energy: -18.091332 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.526 flat angles P-C4'-P energy: -2.233 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: 1, replica: 10 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -26.430519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.430519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.430519 (E_RNA) where: Base-Base interactions energy: -10.649 where: short stacking energy: -10.649 Base-Backbone interact. energy: -0.000 local terms energy: -15.781504 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -3.692 flat angles P-C4'-P energy: -1.485 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: 2, replica: 7 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -28.519712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.519712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.519712 (E_RNA) where: Base-Base interactions energy: -9.698 where: short stacking energy: -9.698 Base-Backbone interact. energy: -0.000 local terms energy: -18.822129 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.452 flat angles P-C4'-P energy: -1.456 tors. eta vs tors. theta energy: -3.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -23.380326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.380326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.380326 (E_RNA) where: Base-Base interactions energy: -7.346 where: short stacking energy: -7.346 Base-Backbone interact. energy: -0.000 local terms energy: -16.034424 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -3.336 flat angles C4'-P-C4' energy: -3.588 flat angles P-C4'-P energy: -2.669 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: 4, replica: 6 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -27.589433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.589433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.589433 (E_RNA) where: Base-Base interactions energy: -11.756 where: short stacking energy: -11.756 Base-Backbone interact. energy: -0.000 local terms energy: -15.833395 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -3.156 flat angles C4'-P-C4' energy: -4.199 flat angles P-C4'-P energy: -1.665 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: 488 Temperature: 1.100000 Total energy: -23.380159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.380159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.380159 (E_RNA) where: Base-Base interactions energy: -6.182 where: short stacking energy: -6.182 Base-Backbone interact. energy: -0.001 local terms energy: -17.196308 where: bonds (distance) C4'-P energy: -3.169 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.521 flat angles P-C4'-P energy: -2.788 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: 6, replica: 4 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -22.156424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.156424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.156424 (E_RNA) where: Base-Base interactions energy: -7.268 where: short stacking energy: -7.268 Base-Backbone interact. energy: -0.010 local terms energy: -14.878239 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -0.342 flat angles P-C4'-P energy: -2.913 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: 7, replica: 5 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -26.274266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.274266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.274266 (E_RNA) where: Base-Base interactions energy: -9.019 where: short stacking energy: -9.019 Base-Backbone interact. energy: -0.000 local terms energy: -17.255373 where: bonds (distance) C4'-P energy: -2.154 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -4.459 flat angles P-C4'-P energy: -2.192 tors. eta vs tors. theta energy: -3.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -19.562462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.562462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.562462 (E_RNA) where: Base-Base interactions energy: -3.882 where: short stacking energy: -3.882 Base-Backbone interact. energy: -0.000 local terms energy: -15.680138 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.280 flat angles P-C4'-P energy: -2.886 tors. eta vs tors. theta energy: 0.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -24.906086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.906086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.906086 (E_RNA) where: Base-Base interactions energy: -8.200 where: short stacking energy: -8.200 Base-Backbone interact. energy: -0.000 local terms energy: -16.706501 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.572 flat angles C4'-P-C4' energy: -2.893 flat angles P-C4'-P energy: -3.909 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: 9 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -22.270994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.270994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.270994 (E_RNA) where: Base-Base interactions energy: -8.109 where: short stacking energy: -8.109 Base-Backbone interact. energy: -0.017 local terms energy: -14.144727 where: bonds (distance) C4'-P energy: -2.759 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -2.871 flat angles P-C4'-P energy: 0.141 tors. eta vs tors. theta energy: -3.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -30.973550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.973550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.973550 (E_RNA) where: Base-Base interactions energy: -11.340 where: short stacking energy: -11.340 Base-Backbone interact. energy: -0.000 local terms energy: -19.633867 where: bonds (distance) C4'-P energy: -3.479 bonds (distance) P-C4' energy: -3.726 flat angles C4'-P-C4' energy: -4.138 flat angles P-C4'-P energy: -3.550 tors. eta vs tors. theta energy: -4.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -24.348283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.348283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.348283 (E_RNA) where: Base-Base interactions energy: -7.524 where: short stacking energy: -7.524 Base-Backbone interact. energy: -0.001 local terms energy: -16.823767 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.183 flat angles P-C4'-P energy: -1.789 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: 3, replica: 3 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -23.409238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.409238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.409238 (E_RNA) where: Base-Base interactions energy: -5.706 where: short stacking energy: -5.706 Base-Backbone interact. energy: -0.884 local terms energy: -16.819320 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.854 flat angles P-C4'-P energy: -1.790 tors. eta vs tors. theta energy: -1.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -28.201705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.201705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.201705 (E_RNA) where: Base-Base interactions energy: -9.791 where: short stacking energy: -9.791 Base-Backbone interact. energy: -0.000 local terms energy: -18.410330 where: bonds (distance) C4'-P energy: -2.867 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.305 flat angles P-C4'-P energy: -3.865 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: 5, replica: 6 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -26.383482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.383482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.383482 (E_RNA) where: Base-Base interactions energy: -6.662 where: short stacking energy: -6.662 Base-Backbone interact. energy: -0.000 local terms energy: -19.721800 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.143 flat angles P-C4'-P energy: -3.144 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: 6, replica: 5 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -24.224606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.224606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.224606 (E_RNA) where: Base-Base interactions energy: -7.708 where: short stacking energy: -8.664 Base-Backbone interact. energy: -0.418 local terms energy: -16.098518 where: bonds (distance) C4'-P energy: -3.583 bonds (distance) P-C4' energy: -4.159 flat angles C4'-P-C4' energy: -3.944 flat angles P-C4'-P energy: -2.357 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: 4 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -25.275748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.275748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.275748 (E_RNA) where: Base-Base interactions energy: -8.126 where: short stacking energy: -8.126 Base-Backbone interact. energy: -0.012 local terms energy: -17.137895 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.463 flat angles P-C4'-P energy: -2.905 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: 8, replica: 2 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -19.279330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.279330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.279330 (E_RNA) where: Base-Base interactions energy: -2.213 where: short stacking energy: -2.213 Base-Backbone interact. energy: -0.001 local terms energy: -17.065091 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -2.612 flat angles P-C4'-P energy: -3.660 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: 9, replica: 8 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -23.622932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.622932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.622932 (E_RNA) where: Base-Base interactions energy: -6.646 where: short stacking energy: -6.646 Base-Backbone interact. energy: -0.000 local terms energy: -16.977318 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.542 flat angles P-C4'-P energy: -4.091 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: 10, replica: 9 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -20.060592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.060592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.060592 (E_RNA) where: Base-Base interactions energy: -4.667 where: short stacking energy: -4.667 Base-Backbone interact. energy: -0.001 local terms energy: -15.393015 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -2.867 flat angles C4'-P-C4' energy: -3.322 flat angles P-C4'-P energy: -3.559 tors. eta vs tors. theta energy: -1.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -28.134051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.134051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.134051 (E_RNA) where: Base-Base interactions energy: -6.729 where: short stacking energy: -6.729 Base-Backbone interact. energy: -0.000 local terms energy: -21.405100 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.279 flat angles P-C4'-P energy: -4.034 tors. eta vs tors. theta energy: -4.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -31.298621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.298621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.298621 (E_RNA) where: Base-Base interactions energy: -10.703 where: short stacking energy: -10.703 Base-Backbone interact. energy: -0.000 local terms energy: -20.596085 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.328 flat angles P-C4'-P energy: -3.184 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: 3, replica: 1 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -24.585787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.585787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.585787 (E_RNA) where: Base-Base interactions energy: -11.475 where: short stacking energy: -11.475 Base-Backbone interact. energy: -0.000 local terms energy: -13.110370 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -3.892 flat angles C4'-P-C4' energy: -3.542 flat angles P-C4'-P energy: -1.003 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: 3 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -26.645937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.645937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.645937 (E_RNA) where: Base-Base interactions energy: -7.317 where: short stacking energy: -7.317 Base-Backbone interact. energy: -0.000 local terms energy: -19.328637 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.181 flat angles P-C4'-P energy: -4.199 tors. eta vs tors. theta energy: -2.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -26.136631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.136631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.136631 (E_RNA) where: Base-Base interactions energy: -10.150 where: short stacking energy: -10.150 Base-Backbone interact. energy: -0.000 local terms energy: -15.986799 where: bonds (distance) C4'-P energy: -1.045 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.627 flat angles P-C4'-P energy: -3.199 tors. eta vs tors. theta energy: -2.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -22.661523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.661523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.661523 (E_RNA) where: Base-Base interactions energy: -7.775 where: short stacking energy: -7.775 Base-Backbone interact. energy: -0.000 local terms energy: -14.886540 where: bonds (distance) C4'-P energy: -3.708 bonds (distance) P-C4' energy: -4.082 flat angles C4'-P-C4' energy: -3.220 flat angles P-C4'-P energy: -2.441 tors. eta vs tors. theta energy: -1.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -21.994236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.994236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.994236 (E_RNA) where: Base-Base interactions energy: -5.643 where: short stacking energy: -6.038 Base-Backbone interact. energy: -0.006 local terms energy: -16.345303 where: bonds (distance) C4'-P energy: -2.027 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.686 flat angles P-C4'-P energy: -3.010 tors. eta vs tors. theta energy: -2.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -21.596740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.596740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.596740 (E_RNA) where: Base-Base interactions energy: -2.550 where: short stacking energy: -2.550 Base-Backbone interact. energy: -0.000 local terms energy: -19.046497 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -4.632 flat angles P-C4'-P energy: -3.351 tors. eta vs tors. theta energy: -2.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -19.866584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.866584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.866584 (E_RNA) where: Base-Base interactions energy: -3.905 where: short stacking energy: -3.905 Base-Backbone interact. energy: -0.000 local terms energy: -15.961734 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.368 flat angles P-C4'-P energy: -1.927 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: 10, replica: 8 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -21.881238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.881238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.881238 (E_RNA) where: Base-Base interactions energy: -3.307 where: short stacking energy: -3.307 Base-Backbone interact. energy: -0.068 local terms energy: -18.506560 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.681 flat angles P-C4'-P energy: -3.750 tors. eta vs tors. theta energy: -1.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -27.678596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.678596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.678596 (E_RNA) where: Base-Base interactions energy: -7.861 where: short stacking energy: -7.861 Base-Backbone interact. energy: -1.181 local terms energy: -18.635804 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.413 flat angles P-C4'-P energy: -3.094 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: 1 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -29.382638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.382638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.382638 (E_RNA) where: Base-Base interactions energy: -10.465 where: short stacking energy: -10.465 Base-Backbone interact. energy: -0.003 local terms energy: -18.914239 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -3.494 flat angles C4'-P-C4' energy: -4.666 flat angles P-C4'-P energy: -3.108 tors. eta vs tors. theta energy: -3.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -26.113836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.113836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.113836 (E_RNA) where: Base-Base interactions energy: -11.345 where: short stacking energy: -11.345 Base-Backbone interact. energy: -0.001 local terms energy: -14.767993 where: bonds (distance) C4'-P energy: -3.425 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.509 flat angles P-C4'-P energy: -2.507 tors. eta vs tors. theta energy: 0.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -22.164867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.164867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.164867 (E_RNA) where: Base-Base interactions energy: -7.030 where: short stacking energy: -7.030 Base-Backbone interact. energy: -0.000 local terms energy: -15.134687 where: bonds (distance) C4'-P energy: -3.161 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.904 flat angles P-C4'-P energy: -1.300 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: 3 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -21.712951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.712951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.712951 (E_RNA) where: Base-Base interactions energy: -4.009 where: short stacking energy: -4.009 Base-Backbone interact. energy: -0.024 local terms energy: -17.680066 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -3.152 flat angles P-C4'-P energy: -3.598 tors. eta vs tors. theta energy: -1.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -22.515672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.515672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.515672 (E_RNA) where: Base-Base interactions energy: -7.475 where: short stacking energy: -7.475 Base-Backbone interact. energy: -0.001 local terms energy: -15.039725 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.343 flat angles C4'-P-C4' energy: -4.082 flat angles P-C4'-P energy: -2.841 tors. eta vs tors. theta energy: 0.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -21.116639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.116639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.116639 (E_RNA) where: Base-Base interactions energy: -6.752 where: short stacking energy: -6.752 Base-Backbone interact. energy: -0.001 local terms energy: -14.364396 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -2.761 flat angles P-C4'-P energy: -2.171 tors. eta vs tors. theta energy: 0.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -21.197773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.197773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.197773 (E_RNA) where: Base-Base interactions energy: -7.548 where: short stacking energy: -7.548 Base-Backbone interact. energy: -0.015 local terms energy: -13.634896 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -4.152 flat angles C4'-P-C4' energy: -2.367 flat angles P-C4'-P energy: -3.702 tors. eta vs tors. theta energy: 0.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -21.991545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.991545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.991545 (E_RNA) where: Base-Base interactions energy: -6.328 where: short stacking energy: -6.328 Base-Backbone interact. energy: -0.003 local terms energy: -15.661393 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -2.900 flat angles P-C4'-P energy: -2.675 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: 10, replica: 8 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -20.376450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.376450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.376450 (E_RNA) where: Base-Base interactions energy: -6.630 where: short stacking energy: -6.630 Base-Backbone interact. energy: -0.009 local terms energy: -13.737695 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -3.518 flat angles C4'-P-C4' energy: -3.038 flat angles P-C4'-P energy: -3.644 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: 1 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -29.013224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.013224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.013224 (E_RNA) where: Base-Base interactions energy: -7.683 where: short stacking energy: -7.683 Base-Backbone interact. energy: -0.000 local terms energy: -21.330040 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.663 flat angles P-C4'-P energy: -3.739 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: 2, replica: 7 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -24.466915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.466915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.466915 (E_RNA) where: Base-Base interactions energy: -8.176 where: short stacking energy: -8.176 Base-Backbone interact. energy: -0.000 local terms energy: -16.290383 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.721 flat angles P-C4'-P energy: -0.916 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: 3, replica: 5 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -31.680150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.680150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.680150 (E_RNA) where: Base-Base interactions energy: -11.719 where: short stacking energy: -11.719 Base-Backbone interact. energy: -0.000 local terms energy: -19.961299 where: bonds (distance) C4'-P energy: -3.152 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.276 flat angles P-C4'-P energy: -3.787 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: 4, replica: 10 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -25.123669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.123669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.123669 (E_RNA) where: Base-Base interactions energy: -7.365 where: short stacking energy: -7.365 Base-Backbone interact. energy: -0.050 local terms energy: -17.709196 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.678 flat angles P-C4'-P energy: -2.673 tors. eta vs tors. theta energy: -1.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -24.096781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.096781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.096781 (E_RNA) where: Base-Base interactions energy: -8.012 where: short stacking energy: -8.012 Base-Backbone interact. energy: -0.000 local terms energy: -16.084735 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -3.103 flat angles C4'-P-C4' energy: -3.822 flat angles P-C4'-P energy: -1.803 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: 6, replica: 3 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -24.818433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.818433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.818433 (E_RNA) where: Base-Base interactions energy: -7.903 where: short stacking energy: -7.903 Base-Backbone interact. energy: -0.000 local terms energy: -16.914934 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.890 flat angles P-C4'-P energy: -3.163 tors. eta vs tors. theta energy: -0.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -20.801358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.801358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.801358 (E_RNA) where: Base-Base interactions energy: -6.633 where: short stacking energy: -6.633 Base-Backbone interact. energy: -0.000 local terms energy: -14.168178 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.118 flat angles P-C4'-P energy: -2.398 tors. eta vs tors. theta energy: 1.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -25.422719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.422719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.422719 (E_RNA) where: Base-Base interactions energy: -5.280 where: short stacking energy: -5.280 Base-Backbone interact. energy: -0.000 local terms energy: -20.142217 where: bonds (distance) C4'-P energy: -4.535 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.290 flat angles P-C4'-P energy: -4.117 tors. eta vs tors. theta energy: -2.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -23.982617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.982617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.982617 (E_RNA) where: Base-Base interactions energy: -6.374 where: short stacking energy: -6.374 Base-Backbone interact. energy: -0.000 local terms energy: -17.609110 where: bonds (distance) C4'-P energy: -3.045 bonds (distance) P-C4' energy: -4.569 flat angles C4'-P-C4' energy: -3.966 flat angles P-C4'-P energy: -3.835 tors. eta vs tors. theta energy: -2.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -19.446594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.446594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.446594 (E_RNA) where: Base-Base interactions energy: -6.908 where: short stacking energy: -7.024 Base-Backbone interact. energy: -0.006 local terms energy: -12.532691 where: bonds (distance) C4'-P energy: -3.277 bonds (distance) P-C4' energy: -3.582 flat angles C4'-P-C4' energy: -1.964 flat angles P-C4'-P energy: -2.844 tors. eta vs tors. theta energy: -0.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -28.845310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.845310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.845310 (E_RNA) where: Base-Base interactions energy: -11.530 where: short stacking energy: -11.530 Base-Backbone interact. energy: -0.000 local terms energy: -17.314778 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.553 flat angles P-C4'-P energy: -3.107 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: 2, replica: 7 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -25.841947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.841947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.841947 (E_RNA) where: Base-Base interactions energy: -7.724 where: short stacking energy: -7.724 Base-Backbone interact. energy: -0.000 local terms energy: -18.118098 where: bonds (distance) C4'-P energy: -3.185 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.181 flat angles P-C4'-P energy: -2.596 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: 3, replica: 5 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -25.876644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.876644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.876644 (E_RNA) where: Base-Base interactions energy: -7.229 where: short stacking energy: -7.229 Base-Backbone interact. energy: -0.001 local terms energy: -18.645823 where: bonds (distance) C4'-P energy: -3.575 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.046 flat angles P-C4'-P energy: -2.990 tors. eta vs tors. theta energy: -2.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -23.836050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.836050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.836050 (E_RNA) where: Base-Base interactions energy: -7.024 where: short stacking energy: -7.268 Base-Backbone interact. energy: -0.152 local terms energy: -16.660178 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.766 flat angles P-C4'-P energy: -3.226 tors. eta vs tors. theta energy: 0.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -21.326951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.326951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.326951 (E_RNA) where: Base-Base interactions energy: -5.930 where: short stacking energy: -5.930 Base-Backbone interact. energy: -0.000 local terms energy: -15.396574 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.326 flat angles P-C4'-P energy: -1.713 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: 6, replica: 9 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -22.902958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.902958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.902958 (E_RNA) where: Base-Base interactions energy: -5.227 where: short stacking energy: -5.227 Base-Backbone interact. energy: -0.001 local terms energy: -17.675538 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -4.009 flat angles P-C4'-P energy: -3.343 tors. eta vs tors. theta energy: -1.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -25.699326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.699326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.699326 (E_RNA) where: Base-Base interactions energy: -8.708 where: short stacking energy: -8.708 Base-Backbone interact. energy: -0.000 local terms energy: -16.991448 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.045 flat angles P-C4'-P energy: -1.383 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: 8, replica: 8 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -22.526410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.526410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.526410 (E_RNA) where: Base-Base interactions energy: -9.010 where: short stacking energy: -9.010 Base-Backbone interact. energy: -0.000 local terms energy: -13.516269 where: bonds (distance) C4'-P energy: -4.009 bonds (distance) P-C4' energy: -3.790 flat angles C4'-P-C4' energy: -3.331 flat angles P-C4'-P energy: -0.893 tors. eta vs tors. theta energy: -1.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -20.956603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.956603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.956603 (E_RNA) where: Base-Base interactions energy: -3.717 where: short stacking energy: -3.717 Base-Backbone interact. energy: -0.000 local terms energy: -17.239893 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.867 flat angles C4'-P-C4' energy: -4.026 flat angles P-C4'-P energy: -3.121 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: 10, replica: 4 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -24.064032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.064032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.064032 (E_RNA) where: Base-Base interactions energy: -7.102 where: short stacking energy: -7.102 Base-Backbone interact. energy: -0.093 local terms energy: -16.868587 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.328 flat angles P-C4'-P energy: -1.291 tors. eta vs tors. theta energy: -2.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -24.718430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.718430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.718430 (E_RNA) where: Base-Base interactions energy: -7.060 where: short stacking energy: -7.060 Base-Backbone interact. energy: -0.000 local terms energy: -17.658810 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -3.615 flat angles P-C4'-P energy: -2.457 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: 2, replica: 1 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -28.771531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.771531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.771531 (E_RNA) where: Base-Base interactions energy: -8.525 where: short stacking energy: -8.525 Base-Backbone interact. energy: -0.000 local terms energy: -20.246051 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.647 flat angles P-C4'-P energy: -2.178 tors. eta vs tors. theta energy: -4.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -25.378675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.378675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.378675 (E_RNA) where: Base-Base interactions energy: -7.286 where: short stacking energy: -7.286 Base-Backbone interact. energy: -0.000 local terms energy: -18.092497 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.078 flat angles C4'-P-C4' energy: -4.254 flat angles P-C4'-P energy: -2.185 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: 4, replica: 5 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -22.202492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.202492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.202492 (E_RNA) where: Base-Base interactions energy: -6.115 where: short stacking energy: -6.115 Base-Backbone interact. energy: -0.001 local terms energy: -16.086609 where: bonds (distance) C4'-P energy: -3.053 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.030 flat angles P-C4'-P energy: -2.527 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: 5, replica: 9 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -23.609854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.609854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.609854 (E_RNA) where: Base-Base interactions energy: -6.237 where: short stacking energy: -6.237 Base-Backbone interact. energy: -0.009 local terms energy: -17.364156 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -4.417 flat angles C4'-P-C4' energy: -4.555 flat angles P-C4'-P energy: -3.758 tors. eta vs tors. theta energy: -0.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -20.208022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.208022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.208022 (E_RNA) where: Base-Base interactions energy: -6.196 where: short stacking energy: -6.196 Base-Backbone interact. energy: -0.006 local terms energy: -14.005980 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.533 flat angles P-C4'-P energy: -2.380 tors. eta vs tors. theta energy: 1.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -22.244800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.244800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.244800 (E_RNA) where: Base-Base interactions energy: -5.356 where: short stacking energy: -5.356 Base-Backbone interact. energy: -0.000 local terms energy: -16.888863 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.290 flat angles P-C4'-P energy: -3.716 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: 8, replica: 3 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -23.793861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.793861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.793861 (E_RNA) where: Base-Base interactions energy: -4.905 where: short stacking energy: -4.905 Base-Backbone interact. energy: -0.001 local terms energy: -18.888143 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.679 flat angles P-C4'-P energy: -2.690 tors. eta vs tors. theta energy: -2.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -23.375601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.375601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.375601 (E_RNA) where: Base-Base interactions energy: -7.409 where: short stacking energy: -7.409 Base-Backbone interact. energy: -0.020 local terms energy: -15.947049 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.097 flat angles P-C4'-P energy: -3.149 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: 494 Temperature: 1.350000 Total energy: -20.888263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.888263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.888263 (E_RNA) where: Base-Base interactions energy: -5.951 where: short stacking energy: -5.951 Base-Backbone interact. energy: -0.000 local terms energy: -14.937472 where: bonds (distance) C4'-P energy: -1.960 bonds (distance) P-C4' energy: -3.755 flat angles C4'-P-C4' energy: -3.267 flat angles P-C4'-P energy: -4.003 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: 1, replica: 7 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -24.461100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.461100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.461100 (E_RNA) where: Base-Base interactions energy: -8.464 where: short stacking energy: -8.464 Base-Backbone interact. energy: -0.101 local terms energy: -15.895635 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.629 flat angles P-C4'-P energy: -2.986 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: 2, replica: 2 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -28.429450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.429450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.429450 (E_RNA) where: Base-Base interactions energy: -8.833 where: short stacking energy: -8.833 Base-Backbone interact. energy: -0.001 local terms energy: -19.595508 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.092 flat angles P-C4'-P energy: -2.397 tors. eta vs tors. theta energy: -3.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -26.404629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.404629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.404629 (E_RNA) where: Base-Base interactions energy: -8.296 where: short stacking energy: -8.296 Base-Backbone interact. energy: -0.000 local terms energy: -18.108828 where: bonds (distance) C4'-P energy: -3.939 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.416 flat angles P-C4'-P energy: -1.386 tors. eta vs tors. theta energy: -3.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -27.082383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.082383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.082383 (E_RNA) where: Base-Base interactions energy: -11.196 where: short stacking energy: -11.196 Base-Backbone interact. energy: -0.026 local terms energy: -15.860726 where: bonds (distance) C4'-P energy: -2.921 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.721 flat angles P-C4'-P energy: -2.275 tors. eta vs tors. theta energy: -0.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -22.988748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.988748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.988748 (E_RNA) where: Base-Base interactions energy: -7.382 where: short stacking energy: -7.382 Base-Backbone interact. energy: -0.000 local terms energy: -15.606440 where: bonds (distance) C4'-P energy: -1.666 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.801 flat angles P-C4'-P energy: -2.317 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: 6, replica: 8 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -23.094319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.094319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.094319 (E_RNA) where: Base-Base interactions energy: -10.040 where: short stacking energy: -10.040 Base-Backbone interact. energy: -0.000 local terms energy: -13.054132 where: bonds (distance) C4'-P energy: -3.566 bonds (distance) P-C4' energy: -3.557 flat angles C4'-P-C4' energy: -4.131 flat angles P-C4'-P energy: -1.373 tors. eta vs tors. theta energy: -0.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -21.218726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.218726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.218726 (E_RNA) where: Base-Base interactions energy: -5.019 where: short stacking energy: -5.019 Base-Backbone interact. energy: 0.309 local terms energy: -16.508292 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.744 flat angles P-C4'-P energy: -3.594 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: 495 Temperature: 1.250000 Total energy: -24.756183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.756183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.756183 (E_RNA) where: Base-Base interactions energy: -7.571 where: short stacking energy: -7.571 Base-Backbone interact. energy: -0.000 local terms energy: -17.184838 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.220 flat angles P-C4'-P energy: -1.176 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: 3 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -20.498005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.498005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.498005 (E_RNA) where: Base-Base interactions energy: -7.179 where: short stacking energy: -7.179 Base-Backbone interact. energy: -0.012 local terms energy: -13.307329 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -2.619 flat angles C4'-P-C4' energy: -4.201 flat angles P-C4'-P energy: -1.394 tors. eta vs tors. theta energy: -0.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -22.076769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.076769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.076769 (E_RNA) where: Base-Base interactions energy: -5.083 where: short stacking energy: -5.083 Base-Backbone interact. energy: -0.000 local terms energy: -16.993184 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -3.854 flat angles P-C4'-P energy: -2.952 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: 2 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -29.321429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.321429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.321429 (E_RNA) where: Base-Base interactions energy: -8.688 where: short stacking energy: -8.688 Base-Backbone interact. energy: -0.000 local terms energy: -20.633115 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.472 flat angles P-C4'-P energy: -3.984 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: 2, replica: 7 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -22.850479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.850479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.850479 (E_RNA) where: Base-Base interactions energy: -5.381 where: short stacking energy: -3.928 Base-Backbone interact. energy: -0.060 local terms energy: -17.409423 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.315 flat angles P-C4'-P energy: -2.993 tors. eta vs tors. theta energy: -1.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -23.531619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.531619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.531619 (E_RNA) where: Base-Base interactions energy: -8.000 where: short stacking energy: -8.000 Base-Backbone interact. energy: -0.556 local terms energy: -14.975111 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.633 flat angles P-C4'-P energy: -2.953 tors. eta vs tors. theta energy: 2.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -27.774831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.774831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.774831 (E_RNA) where: Base-Base interactions energy: -8.536 where: short stacking energy: -8.536 Base-Backbone interact. energy: -0.000 local terms energy: -19.239253 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -4.555 flat angles P-C4'-P energy: -2.675 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: 5, replica: 8 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -26.647606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.647606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.647606 (E_RNA) where: Base-Base interactions energy: -7.660 where: short stacking energy: -7.660 Base-Backbone interact. energy: -0.000 local terms energy: -18.987752 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -3.339 flat angles C4'-P-C4' energy: -4.221 flat angles P-C4'-P energy: -1.782 tors. eta vs tors. theta energy: -5.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -24.208584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.208584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.208584 (E_RNA) where: Base-Base interactions energy: -9.065 where: short stacking energy: -9.065 Base-Backbone interact. energy: -0.000 local terms energy: -15.143090 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -2.867 flat angles C4'-P-C4' energy: -4.376 flat angles P-C4'-P energy: -2.455 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: 4 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -22.795942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.795942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.795942 (E_RNA) where: Base-Base interactions energy: -6.826 where: short stacking energy: -6.826 Base-Backbone interact. energy: -0.000 local terms energy: -15.969420 where: bonds (distance) C4'-P energy: -3.140 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.692 flat angles P-C4'-P energy: -1.962 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: 10 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -23.098857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.098857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.098857 (E_RNA) where: Base-Base interactions energy: -8.321 where: short stacking energy: -8.321 Base-Backbone interact. energy: -0.000 local terms energy: -14.777939 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -3.984 flat angles C4'-P-C4' energy: -1.860 flat angles P-C4'-P energy: -3.320 tors. eta vs tors. theta energy: -1.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -25.810943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.810943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.810943 (E_RNA) where: Base-Base interactions energy: -7.273 where: short stacking energy: -7.273 Base-Backbone interact. energy: -0.000 local terms energy: -18.538186 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.770 flat angles P-C4'-P energy: -1.598 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: 10, replica: 3 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -22.208227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.208227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.208227 (E_RNA) where: Base-Base interactions energy: -3.655 where: short stacking energy: -3.655 Base-Backbone interact. energy: -0.000 local terms energy: -18.553351 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.865 flat angles P-C4'-P energy: -3.635 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: 1, replica: 2 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -23.386228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.386228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.386228 (E_RNA) where: Base-Base interactions energy: -6.420 where: short stacking energy: -6.420 Base-Backbone interact. energy: -0.000 local terms energy: -16.966586 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.938 flat angles P-C4'-P energy: -3.813 tors. eta vs tors. theta energy: -0.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -27.016609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.016609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.016609 (E_RNA) where: Base-Base interactions energy: -8.609 where: short stacking energy: -8.609 Base-Backbone interact. energy: -0.000 local terms energy: -18.407498 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.121 flat angles P-C4'-P energy: -2.294 tors. eta vs tors. theta energy: -2.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -22.359082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.359082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.359082 (E_RNA) where: Base-Base interactions energy: -2.727 where: short stacking energy: -2.727 Base-Backbone interact. energy: -0.002 local terms energy: -19.629961 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.818 flat angles P-C4'-P energy: -3.630 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: 4, replica: 8 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -24.030088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.030088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.030088 (E_RNA) where: Base-Base interactions energy: -6.692 where: short stacking energy: -6.692 Base-Backbone interact. energy: -0.000 local terms energy: -17.337844 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -4.631 flat angles C4'-P-C4' energy: -4.199 flat angles P-C4'-P energy: -3.542 tors. eta vs tors. theta energy: -0.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -23.968071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.968071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.968071 (E_RNA) where: Base-Base interactions energy: -8.626 where: short stacking energy: -8.626 Base-Backbone interact. energy: -1.021 local terms energy: -14.321666 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.257 flat angles P-C4'-P energy: -1.379 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: 6, replica: 4 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -21.924536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.924536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.924536 (E_RNA) where: Base-Base interactions energy: -7.372 where: short stacking energy: -7.372 Base-Backbone interact. energy: -0.006 local terms energy: -14.546954 where: bonds (distance) C4'-P energy: -3.161 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.046 flat angles P-C4'-P energy: -1.801 tors. eta vs tors. theta energy: -0.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -25.328426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.328426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.328426 (E_RNA) where: Base-Base interactions energy: -8.334 where: short stacking energy: -8.334 Base-Backbone interact. energy: -0.000 local terms energy: -16.994078 where: bonds (distance) C4'-P energy: -2.611 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -3.976 flat angles P-C4'-P energy: -2.533 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: 8, replica: 6 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -21.991912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.991912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.991912 (E_RNA) where: Base-Base interactions energy: -3.770 where: short stacking energy: -3.770 Base-Backbone interact. energy: -0.772 local terms energy: -17.449922 where: bonds (distance) C4'-P energy: -2.892 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.642 flat angles P-C4'-P energy: -3.167 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: 9, replica: 10 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -24.079108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.079108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.079108 (E_RNA) where: Base-Base interactions energy: -7.151 where: short stacking energy: -7.151 Base-Backbone interact. energy: -0.003 local terms energy: -16.925088 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.120 flat angles P-C4'-P energy: -3.459 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: 3 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -19.191997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.191997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.191997 (E_RNA) where: Base-Base interactions energy: -2.732 where: short stacking energy: -2.732 Base-Backbone interact. energy: -0.001 local terms energy: -16.458538 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.466 flat angles P-C4'-P energy: -2.456 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: 5 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -26.568815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.568815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.568815 (E_RNA) where: Base-Base interactions energy: -10.601 where: short stacking energy: -10.601 Base-Backbone interact. energy: -0.002 local terms energy: -15.965700 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.252 flat angles P-C4'-P energy: -1.433 tors. eta vs tors. theta energy: -1.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -24.955152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.955152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.955152 (E_RNA) where: Base-Base interactions energy: -6.104 where: short stacking energy: -6.104 Base-Backbone interact. energy: -0.000 local terms energy: -18.851301 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.447 flat angles P-C4'-P energy: -2.563 tors. eta vs tors. theta energy: -2.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -25.475566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.475566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.475566 (E_RNA) where: Base-Base interactions energy: -7.839 where: short stacking energy: -7.839 Base-Backbone interact. energy: -1.017 local terms energy: -16.620143 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -4.839 flat angles C4'-P-C4' energy: -4.487 flat angles P-C4'-P energy: -1.939 tors. eta vs tors. theta energy: -0.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -29.351962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.351962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.351962 (E_RNA) where: Base-Base interactions energy: -12.218 where: short stacking energy: -12.218 Base-Backbone interact. energy: 0.080 local terms energy: -17.214445 where: bonds (distance) C4'-P energy: -2.928 bonds (distance) P-C4' energy: -3.301 flat angles C4'-P-C4' energy: -4.012 flat angles P-C4'-P energy: -4.031 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: 5, replica: 4 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -24.501666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.501666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.501666 (E_RNA) where: Base-Base interactions energy: -9.364 where: short stacking energy: -9.633 Base-Backbone interact. energy: -0.016 local terms energy: -15.121412 where: bonds (distance) C4'-P energy: -2.105 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -3.359 flat angles P-C4'-P energy: -3.119 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: 6, replica: 1 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -21.021110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.021110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.021110 (E_RNA) where: Base-Base interactions energy: -4.143 where: short stacking energy: -4.143 Base-Backbone interact. energy: -0.000 local terms energy: -16.877890 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -2.655 flat angles P-C4'-P energy: -2.490 tors. eta vs tors. theta energy: -3.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -20.875496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.875496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.875496 (E_RNA) where: Base-Base interactions energy: -6.317 where: short stacking energy: -6.317 Base-Backbone interact. energy: -0.014 local terms energy: -14.544496 where: bonds (distance) C4'-P energy: -4.009 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -2.505 flat angles P-C4'-P energy: -2.131 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: 8, replica: 9 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -22.314146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.314146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.314146 (E_RNA) where: Base-Base interactions energy: -3.817 where: short stacking energy: -3.817 Base-Backbone interact. energy: -0.000 local terms energy: -18.497032 where: bonds (distance) C4'-P energy: -3.152 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.939 flat angles P-C4'-P energy: -3.420 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: 9, replica: 3 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -25.165450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.165450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.165450 (E_RNA) where: Base-Base interactions energy: -7.509 where: short stacking energy: -7.509 Base-Backbone interact. energy: -0.013 local terms energy: -17.643840 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -4.314 flat angles C4'-P-C4' energy: -3.537 flat angles P-C4'-P energy: -3.254 tors. eta vs tors. theta energy: -2.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -18.980318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.980318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.980318 (E_RNA) where: Base-Base interactions energy: -5.488 where: short stacking energy: -5.488 Base-Backbone interact. energy: -0.000 local terms energy: -13.492685 where: bonds (distance) C4'-P energy: -1.641 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.309 flat angles P-C4'-P energy: -1.246 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: 5 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -30.272218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.272218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.272218 (E_RNA) where: Base-Base interactions energy: -10.300 where: short stacking energy: -10.300 Base-Backbone interact. energy: -0.000 local terms energy: -19.972395 where: bonds (distance) C4'-P energy: -3.290 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.664 flat angles P-C4'-P energy: -3.222 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: 2, replica: 2 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -25.190606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.190606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.190606 (E_RNA) where: Base-Base interactions energy: -6.534 where: short stacking energy: -6.534 Base-Backbone interact. energy: -0.004 local terms energy: -18.651996 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.279 flat angles P-C4'-P energy: -3.185 tors. eta vs tors. theta energy: -1.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -24.950555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.950555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.950555 (E_RNA) where: Base-Base interactions energy: -7.440 where: short stacking energy: -7.440 Base-Backbone interact. energy: -0.077 local terms energy: -17.433369 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.046 flat angles P-C4'-P energy: -3.257 tors. eta vs tors. theta energy: -1.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -25.631111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.631111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.631111 (E_RNA) where: Base-Base interactions energy: -7.584 where: short stacking energy: -7.584 Base-Backbone interact. energy: -0.012 local terms energy: -18.035629 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.595 flat angles P-C4'-P energy: -2.033 tors. eta vs tors. theta energy: -2.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -21.915862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.915862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.915862 (E_RNA) where: Base-Base interactions energy: -4.359 where: short stacking energy: -4.359 Base-Backbone interact. energy: -0.000 local terms energy: -17.556808 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -4.339 flat angles C4'-P-C4' energy: -4.502 flat angles P-C4'-P energy: -3.043 tors. eta vs tors. theta energy: -1.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -24.542122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.542122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.542122 (E_RNA) where: Base-Base interactions energy: -11.099 where: short stacking energy: -11.099 Base-Backbone interact. energy: -0.001 local terms energy: -13.441922 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -3.265 flat angles C4'-P-C4' energy: -1.823 flat angles P-C4'-P energy: -1.943 tors. eta vs tors. theta energy: -2.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -23.878797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.878797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.878797 (E_RNA) where: Base-Base interactions energy: -7.253 where: short stacking energy: -7.253 Base-Backbone interact. energy: -0.000 local terms energy: -16.625942 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -2.554 flat angles P-C4'-P energy: -2.925 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: 8, replica: 3 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -25.491917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.491917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.491917 (E_RNA) where: Base-Base interactions energy: -8.013 where: short stacking energy: -8.013 Base-Backbone interact. energy: -0.000 local terms energy: -17.478457 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -2.397 flat angles P-C4'-P energy: -3.340 tors. eta vs tors. theta energy: -2.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -19.041733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.041733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.041733 (E_RNA) where: Base-Base interactions energy: -6.602 where: short stacking energy: -6.602 Base-Backbone interact. energy: -0.023 local terms energy: -12.416114 where: bonds (distance) C4'-P energy: -3.673 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -2.024 flat angles P-C4'-P energy: -3.738 tors. eta vs tors. theta energy: 2.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -18.351500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.351500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.351500 (E_RNA) where: Base-Base interactions energy: -6.566 where: short stacking energy: -6.566 Base-Backbone interact. energy: -0.006 local terms energy: -11.780062 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -1.437 flat angles C4'-P-C4' energy: -4.026 flat angles P-C4'-P energy: -0.921 tors. eta vs tors. theta energy: -1.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -24.653503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.653503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.653503 (E_RNA) where: Base-Base interactions energy: -7.457 where: short stacking energy: -7.457 Base-Backbone interact. energy: -0.000 local terms energy: -17.196686 where: bonds (distance) C4'-P energy: -3.567 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.828 flat angles P-C4'-P energy: -2.710 tors. eta vs tors. theta energy: -1.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -30.293717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.293717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.293717 (E_RNA) where: Base-Base interactions energy: -11.125 where: short stacking energy: -11.125 Base-Backbone interact. energy: -0.000 local terms energy: -19.168272 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -3.697 flat angles P-C4'-P energy: -3.099 tors. eta vs tors. theta energy: -3.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -23.937685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.937685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.937685 (E_RNA) where: Base-Base interactions energy: -8.083 where: short stacking energy: -8.083 Base-Backbone interact. energy: -0.000 local terms energy: -15.855175 where: bonds (distance) C4'-P energy: -3.053 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -2.867 flat angles P-C4'-P energy: -3.588 tors. eta vs tors. theta energy: -1.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -25.480386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.480386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.480386 (E_RNA) where: Base-Base interactions energy: -7.745 where: short stacking energy: -7.745 Base-Backbone interact. energy: 0.043 local terms energy: -17.778554 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.006 flat angles P-C4'-P energy: -2.688 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: 5, replica: 6 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -25.717862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.717862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.717862 (E_RNA) where: Base-Base interactions energy: -6.890 where: short stacking energy: -6.890 Base-Backbone interact. energy: -0.000 local terms energy: -18.827512 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.109 flat angles P-C4'-P energy: -3.213 tors. eta vs tors. theta energy: -2.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -26.035912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.035912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.035912 (E_RNA) where: Base-Base interactions energy: -8.027 where: short stacking energy: -8.027 Base-Backbone interact. energy: -0.000 local terms energy: -18.009387 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -1.721 flat angles P-C4'-P energy: -3.835 tors. eta vs tors. theta energy: -3.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -21.983711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.983711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.983711 (E_RNA) where: Base-Base interactions energy: -4.586 where: short stacking energy: -4.586 Base-Backbone interact. energy: -0.000 local terms energy: -17.397925 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.519 flat angles P-C4'-P energy: -3.721 tors. eta vs tors. theta energy: -0.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -22.803473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.803473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.803473 (E_RNA) where: Base-Base interactions energy: -6.870 where: short stacking energy: -6.870 Base-Backbone interact. energy: -0.061 local terms energy: -15.872880 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -4.575 flat angles C4'-P-C4' energy: -4.135 flat angles P-C4'-P energy: -3.114 tors. eta vs tors. theta energy: -0.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -24.466574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.466574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.466574 (E_RNA) where: Base-Base interactions energy: -6.226 where: short stacking energy: -6.226 Base-Backbone interact. energy: -0.000 local terms energy: -18.240667 where: bonds (distance) C4'-P energy: -2.975 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.535 flat angles P-C4'-P energy: -2.794 tors. eta vs tors. theta energy: -4.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -21.729103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.729103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.729103 (E_RNA) where: Base-Base interactions energy: -3.562 where: short stacking energy: -3.562 Base-Backbone interact. energy: -0.000 local terms energy: -18.167386 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -3.898 flat angles P-C4'-P energy: -2.982 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: 1, replica: 2 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -31.137462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.137462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.137462 (E_RNA) where: Base-Base interactions energy: -11.923 where: short stacking energy: -11.923 Base-Backbone interact. energy: -0.000 local terms energy: -19.214216 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.112 flat angles P-C4'-P energy: -1.359 tors. eta vs tors. theta energy: -4.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -24.060172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.060172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.060172 (E_RNA) where: Base-Base interactions energy: -6.711 where: short stacking energy: -6.711 Base-Backbone interact. energy: -0.004 local terms energy: -17.344491 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.599 flat angles P-C4'-P energy: -3.880 tors. eta vs tors. theta energy: 0.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -26.186817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.186817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.186817 (E_RNA) where: Base-Base interactions energy: -11.164 where: short stacking energy: -11.164 Base-Backbone interact. energy: -0.000 local terms energy: -15.023100 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.463 flat angles P-C4'-P energy: -1.298 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: 4, replica: 6 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -24.462299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.462299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.462299 (E_RNA) where: Base-Base interactions energy: -7.127 where: short stacking energy: -7.127 Base-Backbone interact. energy: -0.093 local terms energy: -17.242833 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.342 flat angles C4'-P-C4' energy: -4.237 flat angles P-C4'-P energy: -3.018 tors. eta vs tors. theta energy: -1.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -28.902722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.902722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.902722 (E_RNA) where: Base-Base interactions energy: -9.806 where: short stacking energy: -9.806 Base-Backbone interact. energy: -0.000 local terms energy: -19.096548 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.510 flat angles P-C4'-P energy: -2.377 tors. eta vs tors. theta energy: -3.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -25.244301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.244301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.244301 (E_RNA) where: Base-Base interactions energy: -6.881 where: short stacking energy: -6.881 Base-Backbone interact. energy: -0.000 local terms energy: -18.363241 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.858 flat angles P-C4'-P energy: -2.729 tors. eta vs tors. theta energy: -3.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -19.609912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.609912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.609912 (E_RNA) where: Base-Base interactions energy: -2.900 where: short stacking energy: -2.900 Base-Backbone interact. energy: -0.523 local terms energy: -16.186533 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -3.758 flat angles C4'-P-C4' energy: -3.686 flat angles P-C4'-P energy: -2.684 tors. eta vs tors. theta energy: -1.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -21.206292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.206292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.206292 (E_RNA) where: Base-Base interactions energy: -5.033 where: short stacking energy: -5.033 Base-Backbone interact. energy: -0.009 local terms energy: -16.164234 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.384 flat angles P-C4'-P energy: -3.102 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: 9, replica: 3 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -20.668772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.668772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.668772 (E_RNA) where: Base-Base interactions energy: -6.239 where: short stacking energy: -6.239 Base-Backbone interact. energy: -0.003 local terms energy: -14.426702 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -3.379 flat angles P-C4'-P energy: -1.840 tors. eta vs tors. theta energy: -0.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -22.412182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.412182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.412182 (E_RNA) where: Base-Base interactions energy: -8.157 where: short stacking energy: -8.157 Base-Backbone interact. energy: -0.052 local terms energy: -14.203606 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -1.382 flat angles P-C4'-P energy: -2.072 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) replica 4 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 6677732 moves confirmed later: 8996945 all moves confirmed: 15674677 percent of confirmed moves: 1.959335 current total energy: -15.298835 recalc. total energy: -15.298835 replica 2 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 6637480 moves confirmed later: 8928074 all moves confirmed: 15565554 percent of confirmed moves: 1.945694 current total energy: -22.465696 recalc. total energy: -22.465696 replica 6 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 6672620 moves confirmed later: 8991458 all moves confirmed: 15664078 percent of confirmed moves: 1.958010 current total energy: -17.533291 recalc. total energy: -17.533291 replica 5 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 6654852 moves confirmed later: 8966584 all moves confirmed: 15621436 percent of confirmed moves: 1.952679 current total energy: -12.116192 recalc. total energy: -12.116192 replica 1 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 6681093 moves confirmed later: 9002969 all moves confirmed: 15684062 percent of confirmed moves: 1.960508 current total energy: -2.684455 recalc. total energy: -2.684455 replica 8 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 6679314 moves confirmed later: 9011800 all moves confirmed: 15691114 percent of confirmed moves: 1.961389 current total energy: -7.392852 recalc. total energy: -7.392852 replica 10 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 6692842 moves confirmed later: 9032032 all moves confirmed: 15724874 percent of confirmed moves: 1.965609 current total energy: -7.239084 recalc. total energy: -7.239084 replica 7 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 6655794 moves confirmed later: 8966999 all moves confirmed: 15622793 percent of confirmed moves: 1.952849 current total energy: -5.123640 recalc. total energy: -5.123640 replica 9 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 6676979 moves confirmed later: 9003475 all moves confirmed: 15680454 percent of confirmed moves: 1.960057 current total energy: -3.631352 recalc. total energy: -3.631352 replica 3 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 6642181 moves confirmed later: 8942805 all moves confirmed: 15584986 percent of confirmed moves: 1.948123 current total energy: -15.641492 recalc. total energy: -15.641492 out arg RESULTS//1/5m8i_rna-bad76d29_01 Time of doing 8000000 iterations: 94.340 seconds